3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole

C17H30N4O — CID 158286105

IUPAC3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C9H15NO.C8H15N3/c1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4/h2*5-7H,1-4H3
InChIKeyGKUMBCKRUNHUSX-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.90
Rot. Bonds4

About 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole

3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole (PubChem CID 158286105) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole
PubChem CID158286105
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C9H15NO.C8H15N3/c1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4/h2*5-7H,1-4H3
InChIKeyGKUMBCKRUNHUSX-UHFFFAOYSA-N
XLogP4.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-Tert-butyl-1,2,4-triazol-1-yl)methyl]-3-ethyl-5-methyl-1,2-oxazole
CID 136548228
N-[(5Z)-5-(5-butan-2-yl-1,2,4-triazol-1-yl)-7-(difluoromethyl)-3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]octa-5,7-dienyl]formamide
CID 155441607
3-Methyl-5-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole
CID 167947455
4-[(5-isobutylisoxazol-3-yl)methyl]-4H-1,2,4-triazole
CID 50950116
3-[1-(Cyclononylmethyl)-5-methyl-1,2,4-triazol-3-yl]-5-cyclooctyl-1,2-oxazole
CID 139453521
3-[2-(Cyclononylmethyl)-5-methyl-1,2,4-triazol-3-yl]-5-cycloundecyl-1,2-oxazole
CID 139453523
1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 157471170
3,5-Di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole
CID 157548660
3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole
CID 158932758
3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole;methane
CID 159099435
5-[(5-Bromo-1,2,4-triazol-1-yl)methyl]-3-ethyl-1,2-oxazole
CID 166559814
N-[(3-isobutylisoxazol-5-yl)methyl]-N'-(1-isopropyl-5-methyl-1H-1,2,4-triazol-3-yl)urea
CID 46988492

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole (CID 158286105) is 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole is CC(C)c1cc(C(C)C)on1.CC(C)c1ncn(C(C)C)n1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is GKUMBCKRUNHUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C8H15N3/c1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4/h2*5-7H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole?
3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 306.45 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 158286105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).