N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide

C19H18N2O4 — CID 110412208

IUPACN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
SMILESCn1c(=O)oc2cc(NC(=O)CCCC(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H18N2O4/c1-21-15-11-10-14(12-17(15)25-19(21)24)20-18(23)9-5-8-16(22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,23)
InChIKeyODSYOXNSHYISMZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.12
Rot. Bonds6

About N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide (PubChem CID 110412208) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
PubChem CID110412208
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
SMILESCn1c(=O)oc2cc(NC(=O)CCCC(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H18N2O4/c1-21-15-11-10-14(12-17(15)25-19(21)24)20-18(23)9-5-8-16(22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,23)
InChIKeyODSYOXNSHYISMZ-UHFFFAOYSA-N
XLogP3.12
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide
CID 110608238
5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 110616444
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
2-(2-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110662188
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
6-hexanoyl-3-methyl-1,3-benzoxazol-2-one
CID 55053743
6-(4-aminobutanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341275
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 50797257
1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111335653

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide (CID 110412208) is N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide is Cn1c(=O)oc2cc(NC(=O)CCCC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide?
The InChIKey is ODSYOXNSHYISMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-15-11-10-14(12-17(15)25-19(21)24)20-18(23)9-5-8-16(22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,23).
What are the key properties of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide?
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide has a molecular weight of 338.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 110412208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).