N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide

C13H12N2O4S — CID 167819006

IUPACN-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ncoc1C1CC1
InChIInChI=1S/C13H12N2O4S/c16-13(11-12(9-6-7-9)19-8-14-11)15-20(17,18)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyDANQLXCPJNWAJC-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.67
Rot. Bonds4

About N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide

N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 167819006) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID167819006
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ncoc1C1CC1
InChIInChI=1S/C13H12N2O4S/c16-13(11-12(9-6-7-9)19-8-14-11)15-20(17,18)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyDANQLXCPJNWAJC-UHFFFAOYSA-N
XLogP1.67
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75463231
N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71969403
N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 71969405
N-(2-fluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71985434
N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 75390496
N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
CID 99713946
N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71974743
N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 71982478
N-[4-(aminosulfonyl)benzyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 74239201
5-methyl-N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)-1,3-oxazole-4-carboxamide
CID 74245279
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 74249264
1-[(5-Cyclopropyl-1,3-oxazol-4-yl)carbonyl]-4-[(4-methylphenyl)sulfonyl]piperazine
CID 74250288

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide (CID 167819006) is N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1ncoc1C1CC1.
What is the InChIKey of N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is DANQLXCPJNWAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-13(11-12(9-6-7-9)19-8-14-11)15-20(17,18)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16).
What are the key properties of N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide?
N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167819006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).