[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate

C15H10ClN3O3 — CID 2997909

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccncc1
InChIInChI=1S/C15H10ClN3O3/c16-12-3-1-10(2-4-12)14-19-18-13(22-14)9-21-15(20)11-5-7-17-8-6-11/h1-8H,9H2
InChIKeyGKXIGQSULUAJFA-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.14
Rot. Bonds4

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate (PubChem CID 2997909) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate
PubChem CID2997909
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccncc1
InChIInChI=1S/C15H10ClN3O3/c16-12-3-1-10(2-4-12)14-19-18-13(22-14)9-21-15(20)11-5-7-17-8-6-11/h1-8H,9H2
InChIKeyGKXIGQSULUAJFA-UHFFFAOYSA-N
XLogP3.14
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 731741
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate
CID 2105651
(2-Chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 2333837
2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 16745779
2-(4-Chlorophenyl)-5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 112783730
2-Chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 4526510
(4-Chlorophenyl)(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)methanone
CID 2361010
2-(2,4-Dichlorophenyl)-5-(4-pyridyl)-1,3,4-oxadiazole
CID 354054
Ethyl 5-(pyridin-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 22432121
2-Cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
Phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 2338542

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate (CID 2997909) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate is O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccncc1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate?
The InChIKey is GKXIGQSULUAJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-12-3-1-10(2-4-12)14-19-18-13(22-14)9-21-15(20)11-5-7-17-8-6-11/h1-8H,9H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate has a molecular weight of 315.72 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate is sourced from PubChem (CID 2997909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).