N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide

C15H19N3O2 — CID 17101262

IUPACN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
SMILESCCCCC(=O)NCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C15H19N3O2/c1-3-4-9-13(19)16-10-14-17-15(18-20-14)12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyBDDNRMNNNJOZGF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.85
Rot. Bonds6

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

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide (PubChem CID 17101262) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
PubChem CID17101262
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
SMILESCCCCC(=O)NCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C15H19N3O2/c1-3-4-9-13(19)16-10-14-17-15(18-20-14)12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyBDDNRMNNNJOZGF-UHFFFAOYSA-N
XLogP2.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dichlorophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100604654
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 50984487
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 131911467
2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 100702296
phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322766
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611296
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 100749125

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide?
The IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide (CID 17101262) is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide.
What is the SMILES notation for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide?
The canonical SMILES for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide is CCCCC(=O)NCc1nc(-c2ccccc2C)no1.
What is the InChIKey of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide?
The InChIKey is BDDNRMNNNJOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-4-9-13(19)16-10-14-17-15(18-20-14)12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide?
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide has a molecular weight of 273.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide is sourced from PubChem (CID 17101262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).