5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one

C16H15ClN4O3 — CID 139019255

IUPAC5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOc1c(Cl)cccc1-c1noc(Cc2c(C)nc(C)[nH]c2=O)n1
InChIInChI=1S/C16H15ClN4O3/c1-8-11(16(22)19-9(2)18-8)7-13-20-15(21-24-13)10-5-4-6-12(17)14(10)23-3/h4-6H,7H2,1-3H3,(H,18,19,22)
InChIKeyDVRVZKJYCSBOOI-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.69
Rot. Bonds4

About 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 139019255) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID139019255
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOc1c(Cl)cccc1-c1noc(Cc2c(C)nc(C)[nH]c2=O)n1
InChIInChI=1S/C16H15ClN4O3/c1-8-11(16(22)19-9(2)18-8)7-13-20-15(21-24-13)10-5-4-6-12(17)14(10)23-3/h4-6H,7H2,1-3H3,(H,18,19,22)
InChIKeyDVRVZKJYCSBOOI-UHFFFAOYSA-N
XLogP2.69
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

3-(3-chloro-2-methoxyphenyl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
CID 146106241
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135475132
5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 167901261
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dichlorophenyl)acetate
CID 8013406
3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 170278718
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681084
3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 166360091
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
2-[[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95920902
1-[[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
CID 53157884

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 139019255) is 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one is COc1c(Cl)cccc1-c1noc(Cc2c(C)nc(C)[nH]c2=O)n1.
What is the InChIKey of 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is DVRVZKJYCSBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-8-11(16(22)19-9(2)18-8)7-13-20-15(21-24-13)10-5-4-6-12(17)14(10)23-3/h4-6H,7H2,1-3H3,(H,18,19,22).
What are the key properties of 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 346.77 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 139019255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).