(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

C16H10F3N3O2 — CID 139340737

IUPAC(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESCc1cnccc1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F3N3O2/c1-9-8-20-7-6-12(9)13(23)10-2-4-11(5-3-10)14-21-15(24-22-14)16(17,18)19/h2-8H,1H3
InChIKeyJFHSPZLIYWDNEG-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.69
Rot. Bonds3

About (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (PubChem CID 139340737) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
PubChem CID139340737
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESCc1cnccc1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F3N3O2/c1-9-8-20-7-6-12(9)13(23)10-2-4-11(5-3-10)14-21-15(24-22-14)16(17,18)19/h2-8H,1H3
InChIKeyJFHSPZLIYWDNEG-UHFFFAOYSA-N
XLogP3.69
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328662
1,2-oxazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 150181087
(2-methyl-1,3-thiazol-4-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 139340906
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N,2-dimethyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 146270650
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethylidene]hydroxylamine
CID 137313932
N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide
CID 130442122
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 99805544
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The IUPAC name of (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (CID 139340737) is (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.
What is the SMILES notation for (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The canonical SMILES for (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is Cc1cnccc1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The InChIKey is JFHSPZLIYWDNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c1-9-8-20-7-6-12(9)13(23)10-2-4-11(5-3-10)14-21-15(24-22-14)16(17,18)19/h2-8H,1H3.
What are the key properties of (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone has a molecular weight of 333.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is sourced from PubChem (CID 139340737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).