5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole

C15H15N5O2 — CID 167887821

IUPAC5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2n[nH]c(Cc3noc([C@@H]4CCCO4)n3)n2)cc1
InChIInChI=1S/C15H15N5O2/c1-2-5-10(6-3-1)14-16-12(18-19-14)9-13-17-15(22-20-13)11-7-4-8-21-11/h1-3,5-6,11H,4,7-9H2,(H,16,18,19)/t11-/m0/s1
InChIKeyPVIFYSFUVCUBOK-NSHDSACASA-N
MW297.32 g/mol
LogP2.30
Rot. Bonds4

About 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole

5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole (PubChem CID 167887821) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole
PubChem CID167887821
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2n[nH]c(Cc3noc([C@@H]4CCCO4)n3)n2)cc1
InChIInChI=1S/C15H15N5O2/c1-2-5-10(6-3-1)14-16-12(18-19-14)9-13-17-15(22-20-13)11-7-4-8-21-11/h1-3,5-6,11H,4,7-9H2,(H,16,18,19)/t11-/m0/s1
InChIKeyPVIFYSFUVCUBOK-NSHDSACASA-N
XLogP2.30
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(2,6-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 129349220
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
5-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188869
5-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188870
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 97453495
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
5-(cyclobutylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 103164431
5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 61353981
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
CID 130611413
5-(oxolan-2-yl)-3-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 70765799

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole (CID 167887821) is 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole is c1ccc(-c2n[nH]c(Cc3noc([C@@H]4CCCO4)n3)n2)cc1.
What is the InChIKey of 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is PVIFYSFUVCUBOK-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-5-10(6-3-1)14-16-12(18-19-14)9-13-17-15(22-20-13)11-7-4-8-21-11/h1-3,5-6,11H,4,7-9H2,(H,16,18,19)/t11-/m0/s1.
What are the key properties of 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole?
5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 297.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167887821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).