3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide

C16H26N2O2 — CID 33295118

IUPAC3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cc(C)no2)CC1
InChIInChI=1S/C16H26N2O2/c1-5-16(3,4)12-6-8-13(9-7-12)17-15(19)14-10-11(2)18-20-14/h10,12-13H,5-9H2,1-4H3,(H,17,19)
InChIKeyFBEHPSVFSZNAFH-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.71
Rot. Bonds4

About 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 33295118) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
PubChem CID33295118
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cc(C)no2)CC1
InChIInChI=1S/C16H26N2O2/c1-5-16(3,4)12-6-8-13(9-7-12)17-15(19)14-10-11(2)18-20-14/h10,12-13H,5-9H2,1-4H3,(H,17,19)
InChIKeyFBEHPSVFSZNAFH-UHFFFAOYSA-N
XLogP3.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
CID 18272889
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47170091
5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
CID 79998506
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873
3-methyl-N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide
CID 62898872
4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 81229203
N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089070
3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 94797390
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089198

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide (CID 33295118) is 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide is CCC(C)(C)C1CCC(NC(=O)c2cc(C)no2)CC1.
What is the InChIKey of 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FBEHPSVFSZNAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-16(3,4)12-6-8-13(9-7-12)17-15(19)14-10-11(2)18-20-14/h10,12-13H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 33295118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).