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

C20H20N4O4 — CID 3864832

IUPACN-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide
SMILESCC(O)C(N)c1nc(C(=O)Nc2ccc(C(=O)c3ccc(N)cc3)cc2)co1
InChIInChI=1S/C20H20N4O4/c1-11(25)17(22)20-24-16(10-28-20)19(27)23-15-8-4-13(5-9-15)18(26)12-2-6-14(21)7-3-12/h2-11,17,25H,21-22H2,1H3,(H,23,27)
InChIKeyNNFGDVXRDARKCG-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.12
Rot. Bonds6

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

N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide (PubChem CID 3864832) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide
PubChem CID3864832
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide
SMILESCC(O)C(N)c1nc(C(=O)Nc2ccc(C(=O)c3ccc(N)cc3)cc2)co1
InChIInChI=1S/C20H20N4O4/c1-11(25)17(22)20-24-16(10-28-20)19(27)23-15-8-4-13(5-9-15)18(26)12-2-6-14(21)7-3-12/h2-11,17,25H,21-22H2,1H3,(H,23,27)
InChIKeyNNFGDVXRDARKCG-UHFFFAOYSA-N
XLogP2.12
TPSA144.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 3862698
N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
CID 3862852
2-(1-amino-2-methylbutyl)-N-[4-[2-(4-aminophenyl)ethyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3866544
2-(1-amino-2-methylpropyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3827756
2-(1-aminoethyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 5182510
2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3847870
2-(1-amino-2-hydroxypropyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3308744
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide (CID 3864832) is N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide is CC(O)C(N)c1nc(C(=O)Nc2ccc(C(=O)c3ccc(N)cc3)cc2)co1.
What is the InChIKey of N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NNFGDVXRDARKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-11(25)17(22)20-24-16(10-28-20)19(27)23-15-8-4-13(5-9-15)18(26)12-2-6-14(21)7-3-12/h2-11,17,25H,21-22H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide?
N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3864832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).