1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea

C12H14F3N5O2 — CID 139018282

IUPAC1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
SMILESCCc1cc(NC(=O)NC(c2nccn2C)C(F)(F)F)no1
InChIInChI=1S/C12H14F3N5O2/c1-3-7-6-8(19-22-7)17-11(21)18-9(12(13,14)15)10-16-4-5-20(10)2/h4-6,9H,3H2,1-2H3,(H2,17,18,19,21)
InChIKeyHFDSKYJOYKKQQU-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.40
Rot. Bonds4

About 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea

1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea (PubChem CID 139018282) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
PubChem CID139018282
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC Name1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
SMILESCCc1cc(NC(=O)NC(c2nccn2C)C(F)(F)F)no1
InChIInChI=1S/C12H14F3N5O2/c1-3-7-6-8(19-22-7)17-11(21)18-9(12(13,14)15)10-16-4-5-20(10)2/h4-6,9H,3H2,1-2H3,(H2,17,18,19,21)
InChIKeyHFDSKYJOYKKQQU-UHFFFAOYSA-N
XLogP2.40
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
CID 146143316
N-(5-ethyl-1,2-oxazol-3-yl)acetamide
CID 70556481
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea
CID 95351163
1-[bis(1-methylimidazol-2-yl)methyl]-3-[2-(1,1-difluoroethyl)phenyl]urea
CID 154765474
1-[4-[3-[(S)-(4-chlorophenyl)sulfinyl]azetidin-1-yl]-1-hydroxybutan-2-yl]-3-(5-ethyl-1,2-oxazol-3-yl)urea
CID 69359197
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
1-[bis(1-methylimidazol-2-yl)methyl]-3-(5-fluoro-4-methoxy-2-methylphenyl)urea
CID 126822365
1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 126450388
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94031370
ethyl 3-[1-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoate
CID 110474175
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
CID 104860530
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea (CID 139018282) is 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea is CCc1cc(NC(=O)NC(c2nccn2C)C(F)(F)F)no1.
What is the InChIKey of 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea?
The InChIKey is HFDSKYJOYKKQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-3-7-6-8(19-22-7)17-11(21)18-9(12(13,14)15)10-16-4-5-20(10)2/h4-6,9H,3H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea?
1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea has a molecular weight of 317.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2-oxazol-3-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 139018282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).