N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide

C19H18N2O3 — CID 53067289

IUPACN-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
SMILESC=CCn1c(=O)oc2ccc(C(=O)Nc3ccc(C)cc3C)cc21
InChIInChI=1S/C19H18N2O3/c1-4-9-21-16-11-14(6-8-17(16)24-19(21)23)18(22)20-15-7-5-12(2)10-13(15)3/h4-8,10-11H,1,9H2,2-3H3,(H,20,22)
InChIKeyXKHXKYVITCPHMR-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.65
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide

N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide (PubChem CID 53067289) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
PubChem CID53067289
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
SMILESC=CCn1c(=O)oc2ccc(C(=O)Nc3ccc(C)cc3C)cc21
InChIInChI=1S/C19H18N2O3/c1-4-9-21-16-11-14(6-8-17(16)24-19(21)23)18(22)20-15-7-5-12(2)10-13(15)3/h4-8,10-11H,1,9H2,2-3H3,(H,20,22)
InChIKeyXKHXKYVITCPHMR-UHFFFAOYSA-N
XLogP3.65
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.65
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

N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53084910
N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 4825497
3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067252
6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 73054095
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxylate
CID 43954367
1-(3-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50820812
3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067237
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55870259
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide (CID 53067289) is N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide is C=CCn1c(=O)oc2ccc(C(=O)Nc3ccc(C)cc3C)cc21.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is XKHXKYVITCPHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-4-9-21-16-11-14(6-8-17(16)24-19(21)23)18(22)20-15-7-5-12(2)10-13(15)3/h4-8,10-11H,1,9H2,2-3H3,(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).