1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea

C13H12F3N3O2 — CID 99706450

IUPAC1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
SMILESCc1cccc([C@@H](NC(=O)Nc2ncco2)C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O2/c1-8-3-2-4-9(7-8)10(13(14,15)16)18-11(20)19-12-17-5-6-21-12/h2-7,10H,1H3,(H2,17,18,19,20)/t10-/m1/s1
InChIKeyXDQKDTSSMHUIPM-SNVBAGLBSA-N
MW299.25 g/mol
LogP3.41
Rot. Bonds3

About 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea

1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea (PubChem CID 99706450) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
PubChem CID99706450
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
SMILESCc1cccc([C@@H](NC(=O)Nc2ncco2)C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O2/c1-8-3-2-4-9(7-8)10(13(14,15)16)18-11(20)19-12-17-5-6-21-12/h2-7,10H,1H3,(H2,17,18,19,20)/t10-/m1/s1
InChIKeyXDQKDTSSMHUIPM-SNVBAGLBSA-N
XLogP3.41
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea?
The IUPAC name of 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea (CID 99706450) is 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea is Cc1cccc([C@@H](NC(=O)Nc2ncco2)C(F)(F)F)c1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea?
The InChIKey is XDQKDTSSMHUIPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8-3-2-4-9(7-8)10(13(14,15)16)18-11(20)19-12-17-5-6-21-12/h2-7,10H,1H3,(H2,17,18,19,20)/t10-/m1/s1.
What are the key properties of 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea?
1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea has a molecular weight of 299.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea is sourced from PubChem (CID 99706450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).