5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide

C15H24N2O3 — CID 99778000

IUPAC5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)N[C@@H]1CCCCC[C@@H]1CO
InChIInChI=1S/C15H24N2O3/c1-3-13-14(10(2)17-20-13)15(19)16-12-8-6-4-5-7-11(12)9-18/h11-12,18H,3-9H2,1-2H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyDCBBAWPRHBRENV-VXGBXAGGSA-N
MW280.37 g/mol
LogP2.22
Rot. Bonds4

About 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide

5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 99778000) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID99778000
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)N[C@@H]1CCCCC[C@@H]1CO
InChIInChI=1S/C15H24N2O3/c1-3-13-14(10(2)17-20-13)15(19)16-12-8-6-4-5-7-11(12)9-18/h11-12,18H,3-9H2,1-2H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyDCBBAWPRHBRENV-VXGBXAGGSA-N
XLogP2.22
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106364538
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631027
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111631282
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42887904
1-[2-(hydroxymethyl)cyclohexyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111631177
N-[2-(hydroxymethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 103751569

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 99778000) is 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)N[C@@H]1CCCCC[C@@H]1CO.
What is the InChIKey of 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DCBBAWPRHBRENV-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-13-14(10(2)17-20-13)15(19)16-12-8-6-4-5-7-11(12)9-18/h11-12,18H,3-9H2,1-2H3,(H,16,19)/t11-,12-/m1/s1.
What are the key properties of 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 99778000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).