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

C19H18N2O5 — CID 53084910

IUPACN-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
SMILESC=CCn1c(=O)oc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc21
InChIInChI=1S/C19H18N2O5/c1-4-9-21-14-10-12(5-7-15(14)26-19(21)23)18(22)20-13-6-8-16(24-2)17(11-13)25-3/h4-8,10-11H,1,9H2,2-3H3,(H,20,22)
InChIKeyOOKNMPGDHJSYLE-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.05
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide (PubChem CID 53084910) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
PubChem CID53084910
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
SMILESC=CCn1c(=O)oc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc21
InChIInChI=1S/C19H18N2O5/c1-4-9-21-14-10-12(5-7-15(14)26-19(21)23)18(22)20-13-6-8-16(24-2)17(11-13)25-3/h4-8,10-11H,1,9H2,2-3H3,(H,20,22)
InChIKeyOOKNMPGDHJSYLE-UHFFFAOYSA-N
XLogP3.05
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797317
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
CID 50796693
3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide
CID 134019993
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 3157286
N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3,4-dimethoxybenzamide
CID 40887498
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide (CID 53084910) is N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide is C=CCn1c(=O)oc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc21.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is OOKNMPGDHJSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-4-9-21-14-10-12(5-7-15(14)26-19(21)23)18(22)20-13-6-8-16(24-2)17(11-13)25-3/h4-8,10-11H,1,9H2,2-3H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53084910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).