N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

C23H27N3O3 — CID 42380482

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1)C(N)=O
InChIInChI=1S/C23H27N3O3/c1-15(2)13-19(22(24)27)26-23(28)17-11-12-20-18(14-17)25-21(29-20)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15,19H,6,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t19-/m0/s1
InChIKeyFZFKOYCIFIVVAW-IBGZPJMESA-N
MW393.49 g/mol
LogP3.63
Rot. Bonds9

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 42380482) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
PubChem CID42380482
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1)C(N)=O
InChIInChI=1S/C23H27N3O3/c1-15(2)13-19(22(24)27)26-23(28)17-11-12-20-18(14-17)25-21(29-20)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15,19H,6,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t19-/m0/s1
InChIKeyFZFKOYCIFIVVAW-IBGZPJMESA-N
XLogP3.63
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-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

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 28729704
methyl 4-methylsulfanyl-2-[[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]amino]butanoate
CID 45245990
2-(3-phenylpropyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide
CID 45188566
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide
CID 173218917
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 42526152
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 26392046
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(3-phenylpropyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 42515593
N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 25460055
2-benzyl-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 74229687
2-butyl-1,3-benzoxazole-5-carboxylic acid
CID 2763366
N-[3-(3-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 45229950

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide (CID 42380482) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide is CC(C)C[C@H](NC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is FZFKOYCIFIVVAW-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)13-19(22(24)27)26-23(28)17-11-12-20-18(14-17)25-21(29-20)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15,19H,6,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42380482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).