[(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

C16H18F3N7O2 — CID 170636327

IUPAC[(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
SMILESO=C(N1CC(c2noc(C3(C(F)(F)F)CC3)n2)C1)N1CC[C@H](n2cnnc2)C1
InChIInChI=1S/C16H18F3N7O2/c17-16(18,19)15(2-3-15)13-22-12(23-28-13)10-5-25(6-10)14(27)24-4-1-11(7-24)26-8-20-21-9-26/h8-11H,1-7H2/t11-/m0/s1
InChIKeyUEBAIEXABBGFAG-NSHDSACASA-N
MW397.36 g/mol
LogP1.72
Rot. Bonds3

About [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

[(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (PubChem CID 170636327) has the molecular formula C16H18F3N7O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
PubChem CID170636327
Molecular FormulaC16H18F3N7O2
Molecular Weight397.36 g/mol
Exact Mass397.15
IUPAC Name[(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
SMILESO=C(N1CC(c2noc(C3(C(F)(F)F)CC3)n2)C1)N1CC[C@H](n2cnnc2)C1
InChIInChI=1S/C16H18F3N7O2/c17-16(18,19)15(2-3-15)13-22-12(23-28-13)10-5-25(6-10)14(27)24-4-1-11(7-24)26-8-20-21-9-26/h8-11H,1-7H2/t11-/m0/s1
InChIKeyUEBAIEXABBGFAG-NSHDSACASA-N
XLogP1.72
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone 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

1-[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 72123577
1-[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 72123583
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 170565737
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 171533082
1-[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 72123593
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 71872439
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 71928308
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine
CID 75373784
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95779644
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95779645
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95779666
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95779667

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The IUPAC name of [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (CID 170636327) is [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The canonical SMILES for [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is O=C(N1CC(c2noc(C3(C(F)(F)F)CC3)n2)C1)N1CC[C@H](n2cnnc2)C1.
What is the InChIKey of [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The InChIKey is UEBAIEXABBGFAG-NSHDSACASA-N. The full InChI is InChI=1S/C16H18F3N7O2/c17-16(18,19)15(2-3-15)13-22-12(23-28-13)10-5-25(6-10)14(27)24-4-1-11(7-24)26-8-20-21-9-26/h8-11H,1-7H2/t11-/m0/s1.
What are the key properties of [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
[(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone has a molecular weight of 397.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,2,4-triazol-4-yl)pyrrolidin-1-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 170636327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).