5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide

C15H11Cl2N5O2 — CID 154807201

IUPAC5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ncncc1Cl
InChIInChI=1S/C15H11Cl2N5O2/c16-10-3-1-9(2-4-10)14-21-12(24-22-14)5-6-19-15(23)13-11(17)7-18-8-20-13/h1-4,7-8H,5-6H2,(H,19,23)
InChIKeyKGPVDGJKFAHUPU-UHFFFAOYSA-N
MW364.19 g/mol
LogP2.81
Rot. Bonds5

About 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide

5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide (PubChem CID 154807201) has the molecular formula C15H11Cl2N5O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide
PubChem CID154807201
Molecular FormulaC15H11Cl2N5O2
Molecular Weight364.19 g/mol
Exact Mass363.03
IUPAC Name5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ncncc1Cl
InChIInChI=1S/C15H11Cl2N5O2/c16-10-3-1-9(2-4-10)14-21-12(24-22-14)5-6-19-15(23)13-11(17)7-18-8-20-13/h1-4,7-8H,5-6H2,(H,19,23)
InChIKeyKGPVDGJKFAHUPU-UHFFFAOYSA-N
XLogP2.81
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-3-carboxamide
CID 4898022
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 51064630
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120989493
(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
CID 119782360
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
cis-(1R,2S)-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131462
2-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4870909
2-chloro-N-[2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]ethyl]benzamide
CID 46441965
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111555033
1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide (CID 154807201) is 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide is O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is KGPVDGJKFAHUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O2/c16-10-3-1-9(2-4-10)14-21-12(24-22-14)5-6-19-15(23)13-11(17)7-18-8-20-13/h1-4,7-8H,5-6H2,(H,19,23).
What are the key properties of 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide?
5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 154807201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).