N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide

C14H16ClN3O4S — CID 91837025

IUPACN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H16ClN3O4S/c1-23(20,21)17-6-5-14(19)16-9-12-8-13(18-22-12)10-3-2-4-11(15)7-10/h2-4,7-8,17H,5-6,9H2,1H3,(H,16,19)
InChIKeyKKJJMIMZQPNZSJ-UHFFFAOYSA-N
MW357.82 g/mol
LogP1.55
Rot. Bonds7

About N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide

N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide (PubChem CID 91837025) has the molecular formula C14H16ClN3O4S and a molecular weight of 357.82 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide
PubChem CID91837025
Molecular FormulaC14H16ClN3O4S
Molecular Weight357.82 g/mol
Exact Mass357.06
IUPAC NameN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H16ClN3O4S/c1-23(20,21)17-6-5-14(19)16-9-12-8-13(18-22-12)10-3-2-4-11(15)7-10/h2-4,7-8,17H,5-6,9H2,1H3,(H,16,19)
InChIKeyKKJJMIMZQPNZSJ-UHFFFAOYSA-N
XLogP1.55
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229
1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 46949495
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide
CID 91795068
3-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207245
N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide
CID 47031214
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 11696940
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 120562932
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,6-dichlorophenyl)propanamide
CID 100604670
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide (CID 91837025) is N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide is CS(=O)(=O)NCCC(=O)NCc1cc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide?
The InChIKey is KKJJMIMZQPNZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S/c1-23(20,21)17-6-5-14(19)16-9-12-8-13(18-22-12)10-3-2-4-11(15)7-10/h2-4,7-8,17H,5-6,9H2,1H3,(H,16,19).
What are the key properties of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide?
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide has a molecular weight of 357.82 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 91837025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).