1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

C18H19N3O4 — CID 6625903

IUPAC1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2noc3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C18H19N3O4/c1-11-4-7-16-13(8-11)15(21-25-16)10-19-18(22)20-14-6-5-12(23-2)9-17(14)24-3/h4-9H,10H2,1-3H3,(H2,19,20,22)
InChIKeyZOKIIDVKOYZRMJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.48
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea (PubChem CID 6625903) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
PubChem CID6625903
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2noc3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C18H19N3O4/c1-11-4-7-16-13(8-11)15(21-25-16)10-19-18(22)20-14-6-5-12(23-2)9-17(14)24-3/h4-9H,10H2,1-3H3,(H2,19,20,22)
InChIKeyZOKIIDVKOYZRMJ-UHFFFAOYSA-N
XLogP3.48
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-benzoxazol-3-ylmethyl)-3-(2,4-dimethoxyphenyl)urea
CID 20901312
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,5-dimethoxyphenyl)urea
CID 20901323
1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
CID 20901555
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108803215
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
CID 20901467

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea (CID 6625903) is 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea is COc1ccc(NC(=O)NCc2noc3ccc(C)cc23)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The InChIKey is ZOKIIDVKOYZRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-4-7-16-13(8-11)15(21-25-16)10-19-18(22)20-14-6-5-12(23-2)9-17(14)24-3/h4-9H,10H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea has a molecular weight of 341.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea is sourced from PubChem (CID 6625903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).