1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine
C140H252N26O5S3 — CID 157225736
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine
SMILESCC(C)C.CC(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1ncn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/C11H13NO.C10H22N2.4C9H16N2.2C9H15NO.2C9H15NS.2C8H15N3.C8H14N2O.C8H14N2S.C7H15NO.2C4H10/c1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;1-7(2)8-3-5-9-6-4-8;2*1-4(2)3/h3-6,8H,7H2,1-2H3;9-10H,5-8H2,1-4H3;4*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3;7H,3-6H2,1-2H3;2*4H,1-3H3
InChIKeyATNADAOYNFQPOZ-UHFFFAOYSA-N
MW2475.93 g/mol
LogP39.56
Rot. Bonds28
About 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine
1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine (PubChem CID 157225736) has the molecular formula C140H252N26O5S3 and a molecular weight of 2475.93 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine.
Molecular Properties
| Compound Name | 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine |
|---|---|
| PubChem CID | 157225736 |
| Molecular Formula | C140H252N26O5S3 |
| Molecular Weight | 2475.93 g/mol |
| Exact Mass | 2473.94 |
| IUPAC Name | 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine |
| SMILES | CC(C)C.CC(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1ncn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1 |
| InChI | InChI=1S/C11H13NO.C10H22N2.4C9H16N2.2C9H15NO.2C9H15NS.2C8H15N3.C8H14N2O.C8H14N2S.C7H15NO.2C4H10/c1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;1-7(2)8-3-5-9-6-4-8;2*1-4(2)3/h3-6,8H,7H2,1-2H3;9-10H,5-8H2,1-4H3;4*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3;7H,3-6H2,1-2H3;2*4H,1-3H3 |
| InChIKey | ATNADAOYNFQPOZ-UHFFFAOYSA-N |
| XLogP | 39.56 |
| TPSA | 314.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 174 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2475.93 |
| LogP ≤ 5 | 39.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 33 |
Frequently Asked Questions
What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine (CID 157225736) is 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine is CC(C)C.CC(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1ncn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine?
The InChIKey is ATNADAOYNFQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C10H22N2.4C9H16N2.2C9H15NO.2C9H15NS.2C8H15N3.C8H14N2O.C8H14N2S.C7H15NO.2C4H10/c1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;1-7(2)8-3-5-9-6-4-8;2*1-4(2)3/h3-6,8H,7H2,1-2H3;9-10H,5-8H2,1-4H3;4*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3;7H,3-6H2,1-2H3;2*4H,1-3H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine?
1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine has a molecular weight of 2475.93 g/mol, XLogP of 39.56, 28 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine is sourced from PubChem (CID 157225736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157225736 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.