1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea

C12H12FN3O2 — CID 108812055

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
SMILESO=C(NCCc1ccccc1F)Nc1ccon1
InChIInChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)5-7-14-12(17)15-11-6-8-18-16-11/h1-4,6,8H,5,7H2,(H2,14,15,16,17)
InChIKeyLSFHSBVHQCFOBZ-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea

1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 108812055) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
PubChem CID108812055
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
SMILESO=C(NCCc1ccccc1F)Nc1ccon1
InChIInChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)5-7-14-12(17)15-11-6-8-18-16-11/h1-4,6,8H,5,7H2,(H2,14,15,16,17)
InChIKeyLSFHSBVHQCFOBZ-UHFFFAOYSA-N
XLogP2.18
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812054
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 971367
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 47862975

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea (CID 108812055) is 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea is O=C(NCCc1ccccc1F)Nc1ccon1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea?
The InChIKey is LSFHSBVHQCFOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)5-7-14-12(17)15-11-6-8-18-16-11/h1-4,6,8H,5,7H2,(H2,14,15,16,17).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea?
1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea has a molecular weight of 249.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).