N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide

C18H17N3O2 — CID 3800118

IUPACN,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCc1ccccc1-c1noc(-c2ccccc2C(=O)N(C)C)n1
InChIInChI=1S/C18H17N3O2/c1-12-8-4-5-9-13(12)16-19-17(23-20-16)14-10-6-7-11-15(14)18(22)21(2)3/h4-11H,1-3H3
InChIKeyNNOAGRPAKQRMMF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.41
Rot. Bonds3

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

N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 3800118) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID3800118
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCc1ccccc1-c1noc(-c2ccccc2C(=O)N(C)C)n1
InChIInChI=1S/C18H17N3O2/c1-12-8-4-5-9-13(12)16-19-17(23-20-16)14-10-6-7-11-15(14)18(22)21(2)3/h4-11H,1-3H3
InChIKeyNNOAGRPAKQRMMF-UHFFFAOYSA-N
XLogP3.41
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3348278
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 3445328
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205
1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 100749125
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 3800118) is N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is Cc1ccccc1-c1noc(-c2ccccc2C(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is NNOAGRPAKQRMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-8-4-5-9-13(12)16-19-17(23-20-16)14-10-6-7-11-15(14)18(22)21(2)3/h4-11H,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 3800118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).