1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea

C18H19N3O4 — CID 50796782

IUPAC1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCCn1c(=O)oc2cc(NC(=O)NCc3cccc(OC)c3)ccc21
InChIInChI=1S/C18H19N3O4/c1-3-21-15-8-7-13(10-16(15)25-18(21)23)20-17(22)19-11-12-5-4-6-14(9-12)24-2/h4-10H,3,11H2,1-2H3,(H2,19,20,22)
InChIKeyYZJCVRUHXLZTJH-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.94
Rot. Bonds5

About 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea

1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 50796782) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID50796782
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCCn1c(=O)oc2cc(NC(=O)NCc3cccc(OC)c3)ccc21
InChIInChI=1S/C18H19N3O4/c1-3-21-15-8-7-13(10-16(15)25-18(21)23)20-17(22)19-11-12-5-4-6-14(9-12)24-2/h4-10H,3,11H2,1-2H3,(H2,19,20,22)
InChIKeyYZJCVRUHXLZTJH-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 38234162
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate
CID 99783925
3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
CID 50796693
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 3809649

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea (CID 50796782) is 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea is CCn1c(=O)oc2cc(NC(=O)NCc3cccc(OC)c3)ccc21.
What is the InChIKey of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is YZJCVRUHXLZTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-21-15-8-7-13(10-16(15)25-18(21)23)20-17(22)19-11-12-5-4-6-14(9-12)24-2/h4-10H,3,11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea?
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 341.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 50796782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).