5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

C14H11N3O — CID 110169330

IUPAC5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(Cc3cccnc3)no2)cc1
InChIInChI=1S/C14H11N3O/c1-2-6-12(7-3-1)14-16-13(17-18-14)9-11-5-4-8-15-10-11/h1-8,10H,9H2
InChIKeyDQVXAWNWXUSHPE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.72
Rot. Bonds3

About 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 110169330) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID110169330
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(Cc3cccnc3)no2)cc1
InChIInChI=1S/C14H11N3O/c1-2-6-12(7-3-1)14-16-13(17-18-14)9-11-5-4-8-15-10-11/h1-8,10H,9H2
InChIKeyDQVXAWNWXUSHPE-UHFFFAOYSA-N
XLogP2.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845758
2-chloro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62553257
2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62884718
3-chloro-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63724127
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107
4-methyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62553436
4-methyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63652464
2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62551044
5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 62551885
N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 16680997

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (CID 110169330) is 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is c1ccc(-c2nc(Cc3cccnc3)no2)cc1.
What is the InChIKey of 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is DQVXAWNWXUSHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-2-6-12(7-3-1)14-16-13(17-18-14)9-11-5-4-8-15-10-11/h1-8,10H,9H2.
What are the key properties of 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 237.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 110169330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).