(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

C14H11F3N2O2 — CID 69336258

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C14H11F3N2O2/c1-7-9(4-5-11(19-7)14(15,16)17)12(20)10-6-18-21-13(10)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyDPVMBUWLHCFNDN-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.51
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 69336258) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID69336258
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C14H11F3N2O2/c1-7-9(4-5-11(19-7)14(15,16)17)12(20)10-6-18-21-13(10)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyDPVMBUWLHCFNDN-UHFFFAOYSA-N
XLogP3.51
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 69336258) is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is DPVMBUWLHCFNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-7-9(4-5-11(19-7)14(15,16)17)12(20)10-6-18-21-13(10)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 296.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 69336258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).