4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

C72H89N9OS2 — CID 157186773

IUPAC4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C12H13N.C10H12N2.2C10H11NS.3C8H11N.C6H9NO/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;3*1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3
InChIKeyAPFFHZMIOBHMQX-UHFFFAOYSA-N
MW1160.70 g/mol
LogP21.07
Rot. Bonds8

About 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (PubChem CID 157186773) has the molecular formula C72H89N9OS2 and a molecular weight of 1160.70 g/mol. Its IUPAC name is 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
PubChem CID157186773
Molecular FormulaC72H89N9OS2
Molecular Weight1160.70 g/mol
Exact Mass1159.66
IUPAC Name4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C12H13N.C10H12N2.2C10H11NS.3C8H11N.C6H9NO/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;3*1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3
InChIKeyAPFFHZMIOBHMQX-UHFFFAOYSA-N
XLogP21.07
TPSA120.67 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001160.70
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The IUPAC name of 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (CID 157186773) is 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The canonical SMILES for 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1.
What is the InChIKey of 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The InChIKey is APFFHZMIOBHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C10H12N2.2C10H11NS.3C8H11N.C6H9NO/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;3*1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine has a molecular weight of 1160.70 g/mol, XLogP of 21.07, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 157186773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).