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

C16H20N4O4S — CID 130188238

IUPACN-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C16H20N4O4S/c17-8-1-9-18-25(22,23)13-6-4-12(5-7-13)19-16(21)14-10-15(24-20-14)11-2-3-11/h4-7,10-11,18H,1-3,8-9,17H2,(H,19,21)
InChIKeyNCHUVBOGAHICQB-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.43
Rot. Bonds8

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

N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130188238) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130188238
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C16H20N4O4S/c17-8-1-9-18-25(22,23)13-6-4-12(5-7-13)19-16(21)14-10-15(24-20-14)11-2-3-11/h4-7,10-11,18H,1-3,8-9,17H2,(H,19,21)
InChIKeyNCHUVBOGAHICQB-UHFFFAOYSA-N
XLogP1.43
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Glisolamide
CID 65713
N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145722470
N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 155531309
5-cyclopropyl-N-[1-[[4-[(3-fluorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
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5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 2567345
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 827440
N-(3,4-Dimethyl-1,2-oxazol-5-YL)-4-{[(1E)-3-oxo-3-phenylprop-1-EN-1-YL]amino}benzene-1-sulfonamide
CID 2298960
N-(3,4-dimethyl-5-isoxazolyl)-4-[(3-oxo-3-phenyl-1-propen-1-yl)amino]benzenesulfonamide
CID 5730616
5-cyclopropyl-N-[2-(methylthio)phenyl]-3-isoxazolecarboxamide
CID 9550166
5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155512013
5-cyclopropyl-N-[1-[4-(piperidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155518897
N-[1-[4-(azetidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 155538155

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130188238) is N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1.
What is the InChIKey of N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is NCHUVBOGAHICQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c17-8-1-9-18-25(22,23)13-6-4-12(5-7-13)19-16(21)14-10-15(24-20-14)11-2-3-11/h4-7,10-11,18H,1-3,8-9,17H2,(H,19,21).
What are the key properties of N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).