N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C17H20N4O4S — CID 130188285

IUPACN-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC1CC(NS(=O)(=O)c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)C1
InChIInChI=1S/C17H20N4O4S/c18-11-7-13(8-11)21-26(23,24)14-5-3-12(4-6-14)19-17(22)15-9-16(25-20-15)10-1-2-10/h3-6,9-11,13,21H,1-2,7-8,18H2,(H,19,22)
InChIKeyKPYIWKAAEQZXSM-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.57
Rot. Bonds6

About N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130188285) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130188285
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC1CC(NS(=O)(=O)c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)C1
InChIInChI=1S/C17H20N4O4S/c18-11-7-13(8-11)21-26(23,24)14-5-3-12(4-6-14)19-17(22)15-9-16(25-20-15)10-1-2-10/h3-6,9-11,13,21H,1-2,7-8,18H2,(H,19,22)
InChIKeyKPYIWKAAEQZXSM-UHFFFAOYSA-N
XLogP1.57
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188238
N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]acetamide
CID 43597864
N-[4-(cyclopentylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 648289
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791445
5-cyclopropyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 31810077
N-[4-(cyclohexylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911307
5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122286600
5-cyclopropyl-N-methylsulfonyl-1,2-oxazole-3-carboxamide
CID 154774184
5-cyclopropyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146323310
N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 159575423
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
5-cyclopropyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 34110514

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130188285) is N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NC1CC(NS(=O)(=O)c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)C1.
What is the InChIKey of N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is KPYIWKAAEQZXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c18-11-7-13(8-11)21-26(23,24)14-5-3-12(4-6-14)19-17(22)15-9-16(25-20-15)10-1-2-10/h3-6,9-11,13,21H,1-2,7-8,18H2,(H,19,22).
What are the key properties of N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).