1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea

C13H11F4N3O2 — CID 95351163

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea
SMILESCc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)no1
InChIInChI=1S/C13H11F4N3O2/c1-7-6-10(20-22-7)18-12(21)19-11(13(15,16)17)8-2-4-9(14)5-3-8/h2-6,11H,1H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyXRCCOXBJHULHND-LLVKDONJSA-N
MW317.24 g/mol
LogP3.55
Rot. Bonds3

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea (PubChem CID 95351163) has the molecular formula C13H11F4N3O2 and a molecular weight of 317.24 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea
PubChem CID95351163
Molecular FormulaC13H11F4N3O2
Molecular Weight317.24 g/mol
Exact Mass317.08
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea
SMILESCc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)no1
InChIInChI=1S/C13H11F4N3O2/c1-7-6-10(20-22-7)18-12(21)19-11(13(15,16)17)8-2-4-9(14)5-3-8/h2-6,11H,1H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyXRCCOXBJHULHND-LLVKDONJSA-N
XLogP3.55
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea with MolForge

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Related Compounds

2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94038397
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CID 134021342
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110353718
3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
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CID 645214
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95772322
1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586
methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate
CID 97185103
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea (CID 95351163) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea is Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea?
The InChIKey is XRCCOXBJHULHND-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11F4N3O2/c1-7-6-10(20-22-7)18-12(21)19-11(13(15,16)17)8-2-4-9(14)5-3-8/h2-6,11H,1H3,(H2,18,19,20,21)/t11-/m1/s1.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea has a molecular weight of 317.24 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 95351163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).