2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide

C17H16N2O3 — CID 110608124

IUPAC2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H16N2O3/c1-11(9-12-5-3-2-4-6-12)16(20)18-13-7-8-14-15(10-13)22-17(21)19-14/h2-8,10-11H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyLIZJPOAUIVXMRT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.94
Rot. Bonds4

About 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide

2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide (PubChem CID 110608124) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
PubChem CID110608124
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H16N2O3/c1-11(9-12-5-3-2-4-6-12)16(20)18-13-7-8-14-15(10-13)22-17(21)19-14/h2-8,10-11H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyLIZJPOAUIVXMRT-UHFFFAOYSA-N
XLogP2.94
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110608109
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411881
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135
2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110619565
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800
3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411098
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
1-(3-methylbutyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411149
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
CID 53304199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide?
The IUPAC name of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide (CID 110608124) is 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide?
The canonical SMILES for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide is CC(Cc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide?
The InChIKey is LIZJPOAUIVXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11(9-12-5-3-2-4-6-12)16(20)18-13-7-8-14-15(10-13)22-17(21)19-14/h2-8,10-11H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide?
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide has a molecular weight of 296.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide is sourced from PubChem (CID 110608124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).