N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide

C21H22N4O3 — CID 3862852

IUPACN-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2ccc(C(=O)c3ccc(N)cc3)cc2)co1
InChIInChI=1S/C21H22N4O3/c1-2-3-17(23)21-25-18(12-28-21)20(27)24-16-10-6-14(7-11-16)19(26)13-4-8-15(22)9-5-13/h4-12,17H,2-3,22-23H2,1H3,(H,24,27)
InChIKeyRBOHHDQUJOUGQU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.54
Rot. Bonds7

About N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide

N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide (PubChem CID 3862852) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
PubChem CID3862852
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2ccc(C(=O)c3ccc(N)cc3)cc2)co1
InChIInChI=1S/C21H22N4O3/c1-2-3-17(23)21-25-18(12-28-21)20(27)24-16-10-6-14(7-11-16)19(26)13-4-8-15(22)9-5-13/h4-12,17H,2-3,22-23H2,1H3,(H,24,27)
InChIKeyRBOHHDQUJOUGQU-UHFFFAOYSA-N
XLogP3.54
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide
CID 3864832
2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3261325
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
2-(1-amino-3-methylsulfanylpropyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3388848
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-amino-2-methylbutyl)-N-[4-[2-(4-aminophenyl)ethyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3866544
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-amino-3-methylsulfanylpropyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3388849
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide (CID 3862852) is N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)Nc2ccc(C(=O)c3ccc(N)cc3)cc2)co1.
What is the InChIKey of N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RBOHHDQUJOUGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-3-17(23)21-25-18(12-28-21)20(27)24-16-10-6-14(7-11-16)19(26)13-4-8-15(22)9-5-13/h4-12,17H,2-3,22-23H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide?
N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3862852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).