3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole

C18H15ClN6O2 — CID 91616542

IUPAC3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole
SMILESCn1c(OCCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccncc1
InChIInChI=1S/C18H15ClN6O2/c1-25-17(12-5-8-20-9-6-12)22-23-18(25)26-10-7-15-21-16(24-27-15)13-3-2-4-14(19)11-13/h2-6,8-9,11H,7,10H2,1H3
InChIKeyIAEDFSRMEDPHDM-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.20
Rot. Bonds6

About 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole (PubChem CID 91616542) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole
PubChem CID91616542
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole
SMILESCn1c(OCCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccncc1
InChIInChI=1S/C18H15ClN6O2/c1-25-17(12-5-8-20-9-6-12)22-23-18(25)26-10-7-15-21-16(24-27-15)13-3-2-4-14(19)11-13/h2-6,8-9,11H,7,10H2,1H3
InChIKeyIAEDFSRMEDPHDM-UHFFFAOYSA-N
XLogP3.20
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-chlorophenyl)-5-[2-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propyl]-1,2,4-oxadiazole
CID 67070932
3-(3-chlorophenyl)-5-[2-(4,4-diethyl-5-pyridin-4-yl-1,2,4-triazol-4-ium-3-yl)ethyl]-1,2,4-oxadiazole
CID 87652832
5-(3-chlorophenyl)-3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxymethyl]-1,2-oxazole
CID 67070701
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methanethiol
CID 174615200
3-(3-chlorophenyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 9137901
ethyl 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanimidate
CID 67070690
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
3-(3-chlorophenyl)-5-[2-[3-cyclopropyl-2-(4-methoxyphenyl)imidazol-4-yl]ethyl]-1,2,4-oxadiazole;2-(3-chlorophenyl)-5-[(2R)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,3,4-oxadiazole;3-(3-chlorophenyl)-5-[(2S)-1-(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)propan-2-yl]-1,2,4-oxadiazole;3-(3-chlorophenyl)-5-[1-[2-(4-methoxyphenyl)-3-methylimidazol-4-yl]propan-2-yl]-1,2,4-oxadiazole
CID 161068162
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
CID 133314634
5-[(5-bromo-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 67070992
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9028953

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole (CID 91616542) is 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole is Cn1c(OCCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccncc1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole?
The InChIKey is IAEDFSRMEDPHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-25-17(12-5-8-20-9-6-12)22-23-18(25)26-10-7-15-21-16(24-27-15)13-3-2-4-14(19)11-13/h2-6,8-9,11H,7,10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole has a molecular weight of 382.81 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91616542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).