3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole

C13H9ClN4O — CID 99963017

IUPAC3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCc1ncncc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H9ClN4O/c1-8-11(6-15-7-16-8)13-17-12(18-19-13)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyGUGFDZCWRMHJLZ-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.16
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 99963017) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID99963017
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCc1ncncc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H9ClN4O/c1-8-11(6-15-7-16-8)13-17-12(18-19-13)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyGUGFDZCWRMHJLZ-UHFFFAOYSA-N
XLogP3.16
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99962981
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253
N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
CID 175582670
5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076
5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 42643241
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
3,6-dichloro-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050440
N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 46265224

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole (CID 99963017) is 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole is Cc1ncncc1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is GUGFDZCWRMHJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c1-8-11(6-15-7-16-8)13-17-12(18-19-13)9-2-4-10(14)5-3-9/h2-7H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 272.70 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 99963017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).