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

C19H14N4O3 — CID 22587648

IUPACN-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
SMILESCc1ccc(-c2nn3c(=O)c(NC(=O)c4ccccc4)cnc3o2)cc1
InChIInChI=1S/C19H14N4O3/c1-12-7-9-14(10-8-12)17-22-23-18(25)15(11-20-19(23)26-17)21-16(24)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)
InChIKeyQSYMUMBHCKRUOM-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.91
Rot. Bonds3

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

N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide (PubChem CID 22587648) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
PubChem CID22587648
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC NameN-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
SMILESCc1ccc(-c2nn3c(=O)c(NC(=O)c4ccccc4)cnc3o2)cc1
InChIInChI=1S/C19H14N4O3/c1-12-7-9-14(10-8-12)17-22-23-18(25)15(11-20-19(23)26-17)21-16(24)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)
InChIKeyQSYMUMBHCKRUOM-UHFFFAOYSA-N
XLogP2.91
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
CID 22587649
4-fluoro-N-[5-oxo-2-(4-propoxyphenyl)-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
CID 50814423
N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide
CID 14639284
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891669
2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10199998
N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693237
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide
CID 22138421
2-[5-benzamido-2-(3-bromophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10159611
N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide
CID 86259664

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide (CID 22587648) is N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide is Cc1ccc(-c2nn3c(=O)c(NC(=O)c4ccccc4)cnc3o2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is QSYMUMBHCKRUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-12-7-9-14(10-8-12)17-22-23-18(25)15(11-20-19(23)26-17)21-16(24)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24).
What are the key properties of N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 346.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 22587648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).