4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C18H18F3N5O — CID 155945853

IUPAC4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCn1cnnc1C1CCCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H18F3N5O/c1-25-11-22-24-16(25)15-3-2-8-26(15)9-14-10-27-17(23-14)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,15H,2-3,8-9H2,1H3
InChIKeyRZRHVAORLPFOQP-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.83
Rot. Bonds4

About 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 155945853) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID155945853
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCn1cnnc1C1CCCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H18F3N5O/c1-25-11-22-24-16(25)15-3-2-8-26(15)9-14-10-27-17(23-14)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,15H,2-3,8-9H2,1H3
InChIKeyRZRHVAORLPFOQP-UHFFFAOYSA-N
XLogP3.83
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 31811934
4-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51934772
2-(4-fluorophenyl)-4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 94136515
[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 109499658
2-(3,4-difluorophenyl)-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95570853
4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 86953301
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69171870
4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]-1,3-oxazole
CID 25204769
4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 56825237
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51124968

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 155945853) is 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is Cn1cnnc1C1CCCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is RZRHVAORLPFOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-25-11-22-24-16(25)15-3-2-8-26(15)9-14-10-27-17(23-14)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,15H,2-3,8-9H2,1H3.
What are the key properties of 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 377.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 155945853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).