1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea

C12H13N3O2 — CID 17276893

IUPAC1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2ccon2)cc1
InChIInChI=1S/C12H13N3O2/c1-2-9-3-5-10(6-4-9)13-12(16)14-11-7-8-17-15-11/h3-8H,2H2,1H3,(H2,13,14,15,16)
InChIKeyDUYZDWUYRVALKD-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea

1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 17276893) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID17276893
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2ccon2)cc1
InChIInChI=1S/C12H13N3O2/c1-2-9-3-5-10(6-4-9)13-12(16)14-11-7-8-17-15-11/h3-8H,2H2,1H3,(H2,13,14,15,16)
InChIKeyDUYZDWUYRVALKD-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea (CID 17276893) is 1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea is CCc1ccc(NC(=O)Nc2ccon2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is DUYZDWUYRVALKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-9-3-5-10(6-4-9)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-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea?
1-(4-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-(4-ethylphenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 17276893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).