2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide

C17H16N2O2 — CID 40647246

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12(13-7-3-2-4-8-13)18-17(20)11-15-14-9-5-6-10-16(14)21-19-15/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyBSLWHEJRYNVPEJ-LBPRGKRZSA-N
MW280.33 g/mol
LogP3.25
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 40647246) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID40647246
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12(13-7-3-2-4-8-13)18-17(20)11-15-14-9-5-6-10-16(14)21-19-15/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyBSLWHEJRYNVPEJ-LBPRGKRZSA-N
XLogP3.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97244364
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938300
propan-2-yl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 51257037
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 18203969
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 51217461
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]acetamide
CID 9187304
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43082127
(2S)-2-[[2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694728

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 40647246) is 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)Cc1noc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is BSLWHEJRYNVPEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(13-7-3-2-4-8-13)18-17(20)11-15-14-9-5-6-10-16(14)21-19-15/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 40647246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).