N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide

C15H19N3O2 — CID 4998664

IUPACN-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCC(C)NC(=O)Cc1noc(-c2ccccc2C)n1
InChIInChI=1S/C15H19N3O2/c1-4-11(3)16-14(19)9-13-17-15(20-18-13)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H,16,19)
InChIKeyCEVAPWRYBYNHJI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.50
Rot. Bonds5

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

N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 4998664) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID4998664
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCC(C)NC(=O)Cc1noc(-c2ccccc2C)n1
InChIInChI=1S/C15H19N3O2/c1-4-11(3)16-14(19)9-13-17-15(20-18-13)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H,16,19)
InChIKeyCEVAPWRYBYNHJI-UHFFFAOYSA-N
XLogP2.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride
CID 120873237
2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 146094614
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
N-[(2R)-butan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682945
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 75505999
N-[(2S)-butan-2-yl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761242
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7683217
N-butan-2-yl-2-[5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786654
N-benzyl-2-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 75494074
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide (CID 4998664) is N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide is CCC(C)NC(=O)Cc1noc(-c2ccccc2C)n1.
What is the InChIKey of N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is CEVAPWRYBYNHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11(3)16-14(19)9-13-17-15(20-18-13)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 4998664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).