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

C18H17N3O4 — CID 50796856

IUPAC1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCCn1c(=O)oc2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21
InChIInChI=1S/C18H17N3O4/c1-3-21-15-8-7-14(10-16(15)25-18(21)24)20-17(23)19-13-6-4-5-12(9-13)11(2)22/h4-10H,3H2,1-2H3,(H2,19,20,23)
InChIKeySANBNQATCFBSRK-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.46
Rot. Bonds4

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

1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 50796856) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
PubChem CID50796856
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCCn1c(=O)oc2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21
InChIInChI=1S/C18H17N3O4/c1-3-21-15-8-7-14(10-16(15)25-18(21)24)20-17(23)19-13-6-4-5-12(9-13)11(2)22/h4-10H,3H2,1-2H3,(H2,19,20,23)
InChIKeySANBNQATCFBSRK-UHFFFAOYSA-N
XLogP3.46
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.46
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-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50820812
1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
CID 9267921
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796615
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
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-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 50796856) is 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is CCn1c(=O)oc2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21.
What is the InChIKey of 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The InChIKey is SANBNQATCFBSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-21-15-8-7-14(10-16(15)25-18(21)24)20-17(23)19-13-6-4-5-12(9-13)11(2)22/h4-10H,3H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 339.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50796856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).