4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide

C20H22N2O3 — CID 110608238

IUPAC4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide
SMILESCn1c(=O)oc2cc(NC(=O)CCC(C)(C)c3ccccc3)ccc21
InChIInChI=1S/C20H22N2O3/c1-20(2,14-7-5-4-6-8-14)12-11-18(23)21-15-9-10-16-17(13-15)25-19(24)22(16)3/h4-10,13H,11-12H2,1-3H3,(H,21,23)
InChIKeyWGJFXJVOCKTCIN-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.83
Rot. Bonds5

About 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide

4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide (PubChem CID 110608238) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide
PubChem CID110608238
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide
SMILESCn1c(=O)oc2cc(NC(=O)CCC(C)(C)c3ccccc3)ccc21
InChIInChI=1S/C20H22N2O3/c1-20(2,14-7-5-4-6-8-14)12-11-18(23)21-15-9-10-16-17(13-15)25-19(24)22(16)3/h4-10,13H,11-12H2,1-3H3,(H,21,23)
InChIKeyWGJFXJVOCKTCIN-UHFFFAOYSA-N
XLogP3.83
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
CID 110412208
1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111335653
2-(2-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110662188
5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 110616444
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115156250
2-(1-hydroxycyclopentyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 111430879
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
2-cyano-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115174971
N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 50797257

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide?
The IUPAC name of 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide (CID 110608238) is 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide?
The canonical SMILES for 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide is Cn1c(=O)oc2cc(NC(=O)CCC(C)(C)c3ccccc3)ccc21.
What is the InChIKey of 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide?
The InChIKey is WGJFXJVOCKTCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2,14-7-5-4-6-8-14)12-11-18(23)21-15-9-10-16-17(13-15)25-19(24)22(16)3/h4-10,13H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide?
4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide has a molecular weight of 338.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide is sourced from PubChem (CID 110608238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).