3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide

C19H18N2O3 — CID 53067252

IUPAC3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2oc(=O)n(Cc3ccc(C)cc3)c2c1
InChIInChI=1S/C19H18N2O3/c1-3-10-20-18(22)15-8-9-17-16(11-15)21(19(23)24-17)12-14-6-4-13(2)5-7-14/h3-9,11H,1,10,12H2,2H3,(H,20,22)
InChIKeyRGWJHXVVIRAYQG-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.87
Rot. Bonds5

About 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide

3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide (PubChem CID 53067252) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
PubChem CID53067252
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2oc(=O)n(Cc3ccc(C)cc3)c2c1
InChIInChI=1S/C19H18N2O3/c1-3-10-20-18(22)15-8-9-17-16(11-15)21(19(23)24-17)12-14-6-4-13(2)5-7-14/h3-9,11H,1,10,12H2,2H3,(H,20,22)
InChIKeyRGWJHXVVIRAYQG-UHFFFAOYSA-N
XLogP2.87
TPSA64.24 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067237
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067289
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
[3-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]phenyl]carbamic acid
CID 67447475
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081
N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067106
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842111
4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 43918537

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide (CID 53067252) is 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide is C=CCNC(=O)c1ccc2oc(=O)n(Cc3ccc(C)cc3)c2c1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is RGWJHXVVIRAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-10-20-18(22)15-8-9-17-16(11-15)21(19(23)24-17)12-14-6-4-13(2)5-7-14/h3-9,11H,1,10,12H2,2H3,(H,20,22).
What are the key properties of 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).