1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea

C18H19N3O3 — CID 50796887

IUPAC1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc3c(c2)oc(=O)n3CC)cc1
InChIInChI=1S/C18H19N3O3/c1-3-12-5-7-13(8-6-12)19-17(22)20-14-9-10-15-16(11-14)24-18(23)21(15)4-2/h5-11H,3-4H2,1-2H3,(H2,19,20,22)
InChIKeyDPBDYHOQIGEIHW-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.82
Rot. Bonds4

About 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea

1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea (PubChem CID 50796887) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
PubChem CID50796887
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc3c(c2)oc(=O)n3CC)cc1
InChIInChI=1S/C18H19N3O3/c1-3-12-5-7-13(8-6-12)19-17(22)20-14-9-10-15-16(11-14)24-18(23)21(15)4-2/h5-11H,3-4H2,1-2H3,(H2,19,20,22)
InChIKeyDPBDYHOQIGEIHW-UHFFFAOYSA-N
XLogP3.82
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
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-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796615
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 74239820
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72922302

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea (CID 50796887) is 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)Nc2ccc3c(c2)oc(=O)n3CC)cc1.
What is the InChIKey of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea?
The InChIKey is DPBDYHOQIGEIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-12-5-7-13(8-6-12)19-17(22)20-14-9-10-15-16(11-14)24-18(23)21(15)4-2/h5-11H,3-4H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea?
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea has a molecular weight of 325.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 50796887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).