N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide

C16H15N5O3 — CID 51102975

IUPACN-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(-c3ncccn3)noc2=O)c1C
InChIInChI=1S/C16H15N5O3/c1-10-5-3-6-12(11(10)2)19-13(22)9-21-15(20-24-16(21)23)14-17-7-4-8-18-14/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyCVVANVVNFIVGMH-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.55
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide

N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 51102975) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID51102975
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(-c3ncccn3)noc2=O)c1C
InChIInChI=1S/C16H15N5O3/c1-10-5-3-6-12(11(10)2)19-13(22)9-21-15(20-24-16(21)23)14-17-7-4-8-18-14/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyCVVANVVNFIVGMH-UHFFFAOYSA-N
XLogP1.55
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772001
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 16956541
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772068
N-(2,3-dimethylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409147
2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 94813808
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 53155219
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 51102975) is N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide is Cc1cccc(NC(=O)Cn2c(-c3ncccn3)noc2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is CVVANVVNFIVGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-10-5-3-6-12(11(10)2)19-13(22)9-21-15(20-24-16(21)23)14-17-7-4-8-18-14/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 325.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 51102975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).