3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide

C21H20N4O3 — CID 52522199

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H20N4O3/c1-14(20-22-13-16(24-20)15-7-3-2-4-8-15)23-19(26)11-12-25-17-9-5-6-10-18(17)28-21(25)27/h2-10,13-14H,11-12H2,1H3,(H,22,24)(H,23,26)/t14-/m0/s1
InChIKeyRMRAUUIIUQMCFF-AWEZNQCLSA-N
MW376.42 g/mol
LogP3.25
Rot. Bonds6

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 52522199) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
PubChem CID52522199
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H20N4O3/c1-14(20-22-13-16(24-20)15-7-3-2-4-8-15)23-19(26)11-12-25-17-9-5-6-10-18(17)28-21(25)27/h2-10,13-14H,11-12H2,1H3,(H,22,24)(H,23,26)/t14-/m0/s1
InChIKeyRMRAUUIIUQMCFF-AWEZNQCLSA-N
XLogP3.25
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide 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-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 67268971
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 52513389
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17413824
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
CID 8756933
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 9033009
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42888994

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide (CID 52522199) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide is C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is RMRAUUIIUQMCFF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(20-22-13-16(24-20)15-7-3-2-4-8-15)23-19(26)11-12-25-17-9-5-6-10-18(17)28-21(25)27/h2-10,13-14H,11-12H2,1H3,(H,22,24)(H,23,26)/t14-/m0/s1.
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 376.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 52522199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).