2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C19H17F3N4O — CID 147892163

IUPAC2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1ccc(C2(Cc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)cc1
InChIInChI=1S/C19H17F3N4O/c1-12-3-5-14(6-4-12)18(7-2-8-18)9-15-23-10-13(11-24-15)16-25-26-17(27-16)19(20,21)22/h3-6,10-11H,2,7-9H2,1H3
InChIKeyICMNQPNHVPSKIA-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.52
Rot. Bonds4

About 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 147892163) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID147892163
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1ccc(C2(Cc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)cc1
InChIInChI=1S/C19H17F3N4O/c1-12-3-5-14(6-4-12)18(7-2-8-18)9-15-23-10-13(11-24-15)16-25-26-17(27-16)19(20,21)22/h3-6,10-11H,2,7-9H2,1H3
InChIKeyICMNQPNHVPSKIA-UHFFFAOYSA-N
XLogP4.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 147772733
2-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 159326233
2-[2-[[1-(2-chlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 161312583
N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129033052
N-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
CID 145295558
N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 159319150
N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032760
N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032918
2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 158256383
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032783
2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 178189718
2-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 130427978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 147892163) is 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Cc1ccc(C2(Cc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)cc1.
What is the InChIKey of 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is ICMNQPNHVPSKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-3-5-14(6-4-12)18(7-2-8-18)9-15-23-10-13(11-24-15)16-25-26-17(27-16)19(20,21)22/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 374.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 147892163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).