2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide

C22H25N3O2 — CID 3821910

IUPAC2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NC(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C22H25N3O2/c1-15(2)13-18(23)22-24-19(14-27-22)21(26)25-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,18,20H,13,23H2,1-2H3,(H,25,26)
InChIKeyZKZKKGAKXQTGPI-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.24
Rot. Bonds7

About 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide

2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide (PubChem CID 3821910) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
PubChem CID3821910
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NC(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C22H25N3O2/c1-15(2)13-18(23)22-24-19(14-27-22)21(26)25-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,18,20H,13,23H2,1-2H3,(H,25,26)
InChIKeyZKZKKGAKXQTGPI-UHFFFAOYSA-N
XLogP4.24
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 5103089
benzyl 2-[[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798249
2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3512849
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 3866540
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone
CID 3682219
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
CID 3672043
2-(1-amino-3-methylbutyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3791845
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
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 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide (CID 3821910) is 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide is CC(C)CC(N)c1nc(C(=O)NC(c2ccccc2)c2ccccc2)co1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The InChIKey is ZKZKKGAKXQTGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)13-18(23)22-24-19(14-27-22)21(26)25-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,18,20H,13,23H2,1-2H3,(H,25,26).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3821910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).