2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole

C10H12F3NO — CID 169166817

IUPAC2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1oc(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-5(2)7-8(10(11,12)13)14-9(15-7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyXGJWKVLMZPEGGQ-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.69
Rot. Bonds2

About 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole

2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 169166817) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID169166817
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1oc(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-5(2)7-8(10(11,12)13)14-9(15-7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyXGJWKVLMZPEGGQ-UHFFFAOYSA-N
XLogP3.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole (CID 169166817) is 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole is CC(C)c1oc(C2CC2)nc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is XGJWKVLMZPEGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-5(2)7-8(10(11,12)13)14-9(15-7)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 219.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 169166817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).