N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

C18H24N2O3S — CID 97235423

IUPACN-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCCC[C@@H]1CO
InChIInChI=1S/C18H24N2O3S/c1-12-16(20-18(23-12)14-7-8-24-11-14)9-17(22)19-15-6-4-2-3-5-13(15)10-21/h7-8,11,13,15,21H,2-6,9-10H2,1H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyOODRBYVEMNUYEQ-HIFRSBDPSA-N
MW348.47 g/mol
LogP3.31
Rot. Bonds5

About N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 97235423) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
PubChem CID97235423
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCCC[C@@H]1CO
InChIInChI=1S/C18H24N2O3S/c1-12-16(20-18(23-12)14-7-8-24-11-14)9-17(22)19-15-6-4-2-3-5-13(15)10-21/h7-8,11,13,15,21H,2-6,9-10H2,1H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyOODRBYVEMNUYEQ-HIFRSBDPSA-N
XLogP3.31
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide 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-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 166298149
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942
4-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 100640260
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535706
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119650306
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 120998250
N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 111484186
N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103774105
N-[2-(hydroxymethyl)cyclopentyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103774248
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone
CID 97066582

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (CID 97235423) is N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCCC[C@@H]1CO.
What is the InChIKey of N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is OODRBYVEMNUYEQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12-16(20-18(23-12)14-7-8-24-11-14)9-17(22)19-15-6-4-2-3-5-13(15)10-21/h7-8,11,13,15,21H,2-6,9-10H2,1H3,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 97235423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).