1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea

C15H16F3N3O2 — CID 71847486

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea
SMILESCc1nc(NC(=O)NC(Cc2ccccc2)C(F)(F)F)oc1C
InChIInChI=1S/C15H16F3N3O2/c1-9-10(2)23-14(19-9)21-13(22)20-12(15(16,17)18)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyRLKNBGKXRACUIO-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.59
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea (PubChem CID 71847486) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea
PubChem CID71847486
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea
SMILESCc1nc(NC(=O)NC(Cc2ccccc2)C(F)(F)F)oc1C
InChIInChI=1S/C15H16F3N3O2/c1-9-10(2)23-14(19-9)21-13(22)20-12(15(16,17)18)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyRLKNBGKXRACUIO-UHFFFAOYSA-N
XLogP3.59
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea (CID 71847486) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea is Cc1nc(NC(=O)NC(Cc2ccccc2)C(F)(F)F)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea?
The InChIKey is RLKNBGKXRACUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-9-10(2)23-14(19-9)21-13(22)20-12(15(16,17)18)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea has a molecular weight of 327.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 71847486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).