2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide

C16H22N4O4S — CID 4996645

IUPAC2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)co1
InChIInChI=1S/C16H22N4O4S/c1-2-3-13(17)16-20-14(10-24-16)15(21)19-9-8-11-4-6-12(7-5-11)25(18,22)23/h4-7,10,13H,2-3,8-9,17H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyXIFCKJBTHFJIOH-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.09
Rot. Bonds8

About 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 4996645) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID4996645
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)co1
InChIInChI=1S/C16H22N4O4S/c1-2-3-13(17)16-20-14(10-24-16)15(21)19-9-8-11-4-6-12(7-5-11)25(18,22)23/h4-7,10,13H,2-3,8-9,17H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyXIFCKJBTHFJIOH-UHFFFAOYSA-N
XLogP1.09
TPSA141.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminobutyl)-N-[2-(4-nitrophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3530922
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 3795383
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furo[3,2-b]pyridine-2-carboxamide
CID 16907015
6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 4996645) is 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)co1.
What is the InChIKey of 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XIFCKJBTHFJIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-2-3-13(17)16-20-14(10-24-16)15(21)19-9-8-11-4-6-12(7-5-11)25(18,22)23/h4-7,10,13H,2-3,8-9,17H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4996645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).