2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide

C18H21ClN2O4S — CID 20876720

IUPAC2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C18H21ClN2O4S/c1-12-16(21-18(25-12)13-5-4-6-14(19)9-13)10-26(23,24)11-17(22)20-15-7-2-3-8-15/h4-6,9,15H,2-3,7-8,10-11H2,1H3,(H,20,22)
InChIKeyFAYIFIYZLIHTEZ-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.28
Rot. Bonds6

About 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide

2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide (PubChem CID 20876720) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide
PubChem CID20876720
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C18H21ClN2O4S/c1-12-16(21-18(25-12)13-5-4-6-14(19)9-13)10-26(23,24)11-17(22)20-15-7-2-3-8-15/h4-6,9,15H,2-3,7-8,10-11H2,1H3,(H,20,22)
InChIKeyFAYIFIYZLIHTEZ-UHFFFAOYSA-N
XLogP3.28
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetyl]amino]piperidine-1-carboxylate
CID 24789561
N-[(4-chlorophenyl)methyl]-2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20876760
N-cycloheptyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20860697
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
CID 46344154
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 92662738
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-5-(4-ethoxyphenyl)pentan-2-one
CID 161351135
N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide
CID 71897999
N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 5307640
1-cyclopentyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one
CID 149211334
1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
CID 110673679

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide (CID 20876720) is 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide is Cc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide?
The InChIKey is FAYIFIYZLIHTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12-16(21-18(25-12)13-5-4-6-14(19)9-13)10-26(23,24)11-17(22)20-15-7-2-3-8-15/h4-6,9,15H,2-3,7-8,10-11H2,1H3,(H,20,22).
What are the key properties of 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide?
2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide has a molecular weight of 396.90 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide is sourced from PubChem (CID 20876720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).