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

C19H21N3O5 — CID 50796889

IUPAC1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C19H21N3O5/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/h5-8,10-11H,4,9H2,1-3H3,(H2,20,21,23)
InChIKeyZZETZDKRWHESBZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.67
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (PubChem CID 50796889) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
PubChem CID50796889
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C19H21N3O5/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/h5-8,10-11H,4,9H2,1-3H3,(H2,20,21,23)
InChIKeyZZETZDKRWHESBZ-UHFFFAOYSA-N
XLogP3.67
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797317
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890
2-(4-methylphenoxy)-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)acetamide
CID 50796641
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
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383564
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (CID 50796889) is 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is CCCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)c(OC)c3)ccc21.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is ZZETZDKRWHESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/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/h5-8,10-11H,4,9H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 371.39 g/mol, XLogP of 3.67, 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-propyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50796889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).