1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea

C19H19N3O5 — CID 50797317

IUPAC1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
SMILESC=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C19H19N3O5/c1-4-9-22-14-7-5-12(10-16(14)27-19(22)24)20-18(23)21-13-6-8-15(25-2)17(11-13)26-3/h4-8,10-11H,1,9H2,2-3H3,(H2,20,21,23)
InChIKeyDXJVMAXNBYXHJG-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.44
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea

1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea (PubChem CID 50797317) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
PubChem CID50797317
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
SMILESC=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C19H19N3O5/c1-4-9-22-14-7-5-12(10-16(14)27-19(22)24)20-18(23)21-13-6-8-15(25-2)17(11-13)26-3/h4-8,10-11H,1,9H2,2-3H3,(H2,20,21,23)
InChIKeyDXJVMAXNBYXHJG-UHFFFAOYSA-N
XLogP3.44
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
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-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53084910
1-(3-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50820812
1-(3-fluoro-4-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797234
1-(5-chloro-2-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797153
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797422
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
CID 17277594
6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 73054095
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
CID 50796693

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea (CID 50797317) is 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea is C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)c(OC)c3)ccc21.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is DXJVMAXNBYXHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-4-9-22-14-7-5-12(10-16(14)27-19(22)24)20-18(23)21-13-6-8-15(25-2)17(11-13)26-3/h4-8,10-11H,1,9H2,2-3H3,(H2,20,21,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea?
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 369.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50797317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).