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

C14H13N5O2 — CID 72902790

IUPAC3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(C3CCOC3)no2)c(-c2ncn[nH]2)c1
InChIInChI=1S/C14H13N5O2/c1-2-4-11(10(3-1)13-15-8-16-18-13)14-17-12(19-21-14)9-5-6-20-7-9/h1-4,8-9H,5-7H2,(H,15,16,18)
InChIKeyJPUSCBWZTBMITL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds3

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

3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 72902790) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
PubChem CID72902790
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(C3CCOC3)no2)c(-c2ncn[nH]2)c1
InChIInChI=1S/C14H13N5O2/c1-2-4-11(10(3-1)13-15-8-16-18-13)14-17-12(19-21-14)9-5-6-20-7-9/h1-4,8-9H,5-7H2,(H,15,16,18)
InChIKeyJPUSCBWZTBMITL-UHFFFAOYSA-N
XLogP2.03
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 97434052
3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole
CID 97446166
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
CID 97434097
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136767992
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65330662
3-(oxan-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559129

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole (CID 72902790) is 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole is c1ccc(-c2nc(C3CCOC3)no2)c(-c2ncn[nH]2)c1.
What is the InChIKey of 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is JPUSCBWZTBMITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-2-4-11(10(3-1)13-15-8-16-18-13)14-17-12(19-21-14)9-5-6-20-7-9/h1-4,8-9H,5-7H2,(H,15,16,18).
What are the key properties of 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 283.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72902790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).