2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide

C18H18N2O2 — CID 40647250

IUPAC2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc2onc(CC(=O)N[C@@H](C)c3ccccc3)c2c1
InChIInChI=1S/C18H18N2O2/c1-12-8-9-17-15(10-12)16(20-22-17)11-18(21)19-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyQRLBXZNUHMBIOF-ZDUSSCGKSA-N
MW294.35 g/mol
LogP3.56
Rot. Bonds4

About 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 40647250) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID40647250
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc2onc(CC(=O)N[C@@H](C)c3ccccc3)c2c1
InChIInChI=1S/C18H18N2O2/c1-12-8-9-17-15(10-12)16(20-22-17)11-18(21)19-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyQRLBXZNUHMBIOF-ZDUSSCGKSA-N
XLogP3.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 108803195
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108803274
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790505
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519887
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97244364
(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 95202272

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 40647250) is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide is Cc1ccc2onc(CC(=O)N[C@@H](C)c3ccccc3)c2c1.
What is the InChIKey of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is QRLBXZNUHMBIOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-8-9-17-15(10-12)16(20-22-17)11-18(21)19-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 40647250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).