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

C18H19N3O4 — CID 50797054

IUPAC1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)cc3)ccc21
InChIInChI=1S/C18H19N3O4/c1-3-10-21-15-9-6-13(11-16(15)25-18(21)23)20-17(22)19-12-4-7-14(24-2)8-5-12/h4-9,11H,3,10H2,1-2H3,(H2,19,20,22)
InChIKeyPEDIRWIWKYPBKS-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.66
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (PubChem CID 50797054) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
PubChem CID50797054
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)cc3)ccc21
InChIInChI=1S/C18H19N3O4/c1-3-10-21-15-9-6-13(11-16(15)25-18(21)23)20-17(22)19-12-4-7-14(24-2)8-5-12/h4-9,11H,3,10H2,1-2H3,(H2,19,20,22)
InChIKeyPEDIRWIWKYPBKS-UHFFFAOYSA-N
XLogP3.66
TPSA85.50 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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
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
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797422
2-(4-methylphenoxy)-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)acetamide
CID 50796641
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
CID 125002159
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797317
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (CID 50797054) is 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is CCCn1c(=O)oc2cc(NC(=O)Nc3ccc(OC)cc3)ccc21.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is PEDIRWIWKYPBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-10-21-15-9-6-13(11-16(15)25-18(21)23)20-17(22)19-12-4-7-14(24-2)8-5-12/h4-9,11H,3,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 341.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50797054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).