2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole

C18H12F3N5O — CID 139220143

IUPAC2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(-n3nc(-c4ccccc4)cc3C(F)(F)F)nc2)o1
InChIInChI=1S/C18H12F3N5O/c1-11-23-24-17(27-11)13-7-8-16(22-10-13)26-15(18(19,20)21)9-14(25-26)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyHRKMKPOBNOQHBU-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.31
Rot. Bonds3

About 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole

2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 139220143) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID139220143
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(-n3nc(-c4ccccc4)cc3C(F)(F)F)nc2)o1
InChIInChI=1S/C18H12F3N5O/c1-11-23-24-17(27-11)13-7-8-16(22-10-13)26-15(18(19,20)21)9-14(25-26)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyHRKMKPOBNOQHBU-UHFFFAOYSA-N
XLogP4.31
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Benzylpyrazolo[1,5-a]pyrimidin-6-yl-5-(difluoromethyl)-1,3,4-oxadiazole
CID 156507539
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
2-(Difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722076
5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722116
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722219
5-(5-(4-(5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 162722250
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722416
N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162722508
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-amine
CID 162722708
(S)-5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722719
3-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide
CID 162722742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole (CID 139220143) is 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1nnc(-c2ccc(-n3nc(-c4ccccc4)cc3C(F)(F)F)nc2)o1.
What is the InChIKey of 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is HRKMKPOBNOQHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c1-11-23-24-17(27-11)13-7-8-16(22-10-13)26-15(18(19,20)21)9-14(25-26)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 371.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139220143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).