2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide

C20H16N4O3 — CID 22587649

IUPAC2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
SMILESCc1ccc(-c2nn3c(=O)c(NC(=O)c4ccccc4C)cnc3o2)cc1
InChIInChI=1S/C20H16N4O3/c1-12-7-9-14(10-8-12)18-23-24-19(26)16(11-21-20(24)27-18)22-17(25)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,22,25)
InChIKeyDDKNPICVZNFWPE-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide

2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide (PubChem CID 22587649) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
PubChem CID22587649
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
SMILESCc1ccc(-c2nn3c(=O)c(NC(=O)c4ccccc4C)cnc3o2)cc1
InChIInChI=1S/C20H16N4O3/c1-12-7-9-14(10-8-12)18-23-24-19(26)16(11-21-20(24)27-18)22-17(25)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,22,25)
InChIKeyDDKNPICVZNFWPE-UHFFFAOYSA-N
XLogP3.22
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
CID 22587648
2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891605
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 142696172
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
N-(2-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110649553
N-(4-iodo-3,5-dimethylphenyl)-2-methylbenzamide
CID 17274184
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide (CID 22587649) is 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide is Cc1ccc(-c2nn3c(=O)c(NC(=O)c4ccccc4C)cnc3o2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is DDKNPICVZNFWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12-7-9-14(10-8-12)18-23-24-19(26)16(11-21-20(24)27-18)22-17(25)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 360.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 22587649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).