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

C19H18N2O3 — CID 110356710

IUPACN-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc3nc(C)oc23)cc1
InChIInChI=1S/C19H18N2O3/c1-12-6-8-14(9-7-12)17(22)10-11-18(23)21-16-5-3-4-15-19(16)24-13(2)20-15/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyYQNHJTLFGZVLHH-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.05
Rot. Bonds5

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

N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 110356710) 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-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID110356710
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc3nc(C)oc23)cc1
InChIInChI=1S/C19H18N2O3/c1-12-6-8-14(9-7-12)17(22)10-11-18(23)21-16-5-3-4-15-19(16)24-13(2)20-15/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyYQNHJTLFGZVLHH-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide (CID 110356710) is N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2cccc3nc(C)oc23)cc1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is YQNHJTLFGZVLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-6-8-14(9-7-12)17(22)10-11-18(23)21-16-5-3-4-15-19(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-(4-methylphenyl)-4-oxobutanamide?
N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-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-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110356710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).