5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one

C18H12ClN5O2 — CID 166850823

IUPAC5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1Cc1cncnc1
InChIInChI=1S/C18H12ClN5O2/c19-15-3-1-2-13(6-15)17-22-18(26-23-17)14-4-5-16(25)24(10-14)9-12-7-20-11-21-8-12/h1-8,10-11H,9H2
InChIKeyCLXHHGVYVXZPGF-UHFFFAOYSA-N
MW365.78 g/mol
LogP3.06
Rot. Bonds4

About 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one (PubChem CID 166850823) has the molecular formula C18H12ClN5O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one
PubChem CID166850823
Molecular FormulaC18H12ClN5O2
Molecular Weight365.78 g/mol
Exact Mass365.07
IUPAC Name5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1Cc1cncnc1
InChIInChI=1S/C18H12ClN5O2/c19-15-3-1-2-13(6-15)17-22-18(26-23-17)14-4-5-16(25)24(10-14)9-12-7-20-11-21-8-12/h1-8,10-11H,9H2
InChIKeyCLXHHGVYVXZPGF-UHFFFAOYSA-N
XLogP3.06
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-one
CID 166850657
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
CID 51366667
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 166850879
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253
1-[(4-methylphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712164
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 53132567
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73332715
1-[(3-prop-2-enoxyphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712188
N-[(2-chlorophenyl)methyl]-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366753
3-[(3-chlorophenyl)methyl]-5-methyl-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidin-4-one
CID 53331942

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one?
The IUPAC name of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one (CID 166850823) is 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one is O=c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1Cc1cncnc1.
What is the InChIKey of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one?
The InChIKey is CLXHHGVYVXZPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2/c19-15-3-1-2-13(6-15)17-22-18(26-23-17)14-4-5-16(25)24(10-14)9-12-7-20-11-21-8-12/h1-8,10-11H,9H2.
What are the key properties of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one?
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one has a molecular weight of 365.78 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one is sourced from PubChem (CID 166850823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).