3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide

C20H22N2O3 — CID 7105736

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-15(11-12-16-7-3-2-4-8-16)21-19(23)13-14-22-17-9-5-6-10-18(17)25-20(22)24/h2-10,15H,11-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyGVOQRDVDMLIVLK-HNNXBMFYSA-N
MW338.41 g/mol
LogP3.12
Rot. Bonds7

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 7105736) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID7105736
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-15(11-12-16-7-3-2-4-8-16)21-19(23)13-14-22-17-9-5-6-10-18(17)25-20(22)24/h2-10,15H,11-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyGVOQRDVDMLIVLK-HNNXBMFYSA-N
XLogP3.12
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
CID 8756933
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 24682652

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 7105736) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide is C[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is GVOQRDVDMLIVLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(11-12-16-7-3-2-4-8-16)21-19(23)13-14-22-17-9-5-6-10-18(17)25-20(22)24/h2-10,15H,11-14H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 7105736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).