N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide

C19H18N2O3 — CID 110417896

IUPACN-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide
SMILESCc1nc2cccc(NC(=O)CCC(=O)c3ccccc3C)c2o1
InChIInChI=1S/C19H18N2O3/c1-12-6-3-4-7-14(12)17(22)10-11-18(23)21-16-9-5-8-15-19(16)24-13(2)20-15/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyHEZBLVXKDDSPPA-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.05
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide

N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide (PubChem CID 110417896) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide
PubChem CID110417896
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide
SMILESCc1nc2cccc(NC(=O)CCC(=O)c3ccccc3C)c2o1
InChIInChI=1S/C19H18N2O3/c1-12-6-3-4-7-14(12)17(22)10-11-18(23)21-16-9-5-8-15-19(16)24-13(2)20-15/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyHEZBLVXKDDSPPA-UHFFFAOYSA-N
XLogP4.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110356710
N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
CID 110358500
4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide
CID 110676274
N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110417882
N-(2-methyl-1,3-benzoxazol-7-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110356766
(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide
CID 110415840
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide
CID 110609698
3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide
CID 110355166
(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
CID 110616979
5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110417913
N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide
CID 714012
1-(3-bromo-4-methylphenyl)-3-(2-methyl-1,3-benzoxazol-7-yl)urea
CID 110356755

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide (CID 110417896) is N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide is Cc1nc2cccc(NC(=O)CCC(=O)c3ccccc3C)c2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is HEZBLVXKDDSPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-6-3-4-7-14(12)17(22)10-11-18(23)21-16-9-5-8-15-19(16)24-13(2)20-15/h3-9H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide?
N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 322.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110417896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).