N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide

C16H13N3O2 — CID 168653735

IUPACN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide
SMILESCc1cccc(-c2noc(-c3ccccc3NC=O)n2)c1
InChIInChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)15-18-16(21-19-15)13-7-2-3-8-14(13)17-10-20/h2-10H,1H3,(H,17,20)
InChIKeyCEWRWXUUVYYGRK-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.28
Rot. Bonds4

About N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide

N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide (PubChem CID 168653735) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide
PubChem CID168653735
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide
SMILESCc1cccc(-c2noc(-c3ccccc3NC=O)n2)c1
InChIInChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)15-18-16(21-19-15)13-7-2-3-8-14(13)17-10-20/h2-10H,1H3,(H,17,20)
InChIKeyCEWRWXUUVYYGRK-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
methyl 4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]-4-oxobutanoate
CID 46266834
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
1-(2-hydroxyethyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]pyrrole-2,5-dione
CID 168559726
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
(3R)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92703513
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746105
3-[5-(2-methyl-3-phenylphenyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 168864527

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide?
The IUPAC name of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide (CID 168653735) is N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide.
What is the SMILES notation for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide?
The canonical SMILES for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide is Cc1cccc(-c2noc(-c3ccccc3NC=O)n2)c1.
What is the InChIKey of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide?
The InChIKey is CEWRWXUUVYYGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)15-18-16(21-19-15)13-7-2-3-8-14(13)17-10-20/h2-10H,1H3,(H,17,20).
What are the key properties of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide?
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide has a molecular weight of 279.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide is sourced from PubChem (CID 168653735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).