1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea

C17H18F3N3O2 — CID 48789780

IUPAC1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESCc1nc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)oc1C
InChIInChI=1S/C17H18F3N3O2/c1-10-11(2)25-15(21-10)22-16(24)23(13-7-8-13)9-12-5-3-4-6-14(12)17(18,19)20/h3-6,13H,7-9H2,1-2H3,(H,21,22,24)
InChIKeyKOIXAJJVWVEZBQ-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.51
Rot. Bonds4

About 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea

1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 48789780) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
PubChem CID48789780
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESCc1nc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)oc1C
InChIInChI=1S/C17H18F3N3O2/c1-10-11(2)25-15(21-10)22-16(24)23(13-7-8-13)9-12-5-3-4-6-14(12)17(18,19)20/h3-6,13H,7-9H2,1-2H3,(H,21,22,24)
InChIKeyKOIXAJJVWVEZBQ-UHFFFAOYSA-N
XLogP4.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea (CID 48789780) is 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea is Cc1nc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)oc1C.
What is the InChIKey of 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is KOIXAJJVWVEZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10-11(2)25-15(21-10)22-16(24)23(13-7-8-13)9-12-5-3-4-6-14(12)17(18,19)20/h3-6,13H,7-9H2,1-2H3,(H,21,22,24).
What are the key properties of 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 353.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 48789780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).