1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea

C12H13N3O2 — CID 17276894

IUPAC1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccon1
InChIInChI=1S/C12H13N3O2/c1-2-9-5-3-4-6-10(9)13-12(16)14-11-7-8-17-15-11/h3-8H,2H2,1H3,(H2,13,14,15,16)
InChIKeyUEDWORAJCPDNFF-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea

1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 17276894) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID17276894
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccon1
InChIInChI=1S/C12H13N3O2/c1-2-9-5-3-4-6-10(9)13-12(16)14-11-7-8-17-15-11/h3-8H,2H2,1H3,(H2,13,14,15,16)
InChIKeyUEDWORAJCPDNFF-UHFFFAOYSA-N
XLogP2.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(5-methylisoxazol-3-YL)urea
CID 99331
1-(4-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17383719
ST50939513
CID 2813558
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)urea
CID 728587
2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 1246930
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)thiourea
CID 2730383
N-(Isoxazol-3-yl)-2-phenylbutanamide
CID 2971247
2-(2-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6465012
1-(4-Ethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 17276893
1-(3-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 24818583
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea
CID 6467399

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea (CID 17276894) is 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea is CCc1ccccc1NC(=O)Nc1ccon1.
What is the InChIKey of 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is UEDWORAJCPDNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-9-5-3-4-6-10(9)13-12(16)14-11-7-8-17-15-11/h3-8H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea?
1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea has a molecular weight of 231.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 17276894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).