3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride

C14H19ClN4O2 — CID 120873237

IUPAC3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride
SMILESCc1ccccc1-c1nc(CNC(=O)CC(C)N)no1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-9-5-3-4-6-11(9)14-17-12(18-20-14)8-16-13(19)7-10(2)15;/h3-6,10H,7-8,15H2,1-2H3,(H,16,19);1H
InChIKeyREPFEDYYVSCOPH-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.82
Rot. Bonds5

About 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride

3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride (PubChem CID 120873237) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride
PubChem CID120873237
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride
SMILESCc1ccccc1-c1nc(CNC(=O)CC(C)N)no1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-9-5-3-4-6-11(9)14-17-12(18-20-14)8-16-13(19)7-10(2)15;/h3-6,10H,7-8,15H2,1-2H3,(H,16,19);1H
InChIKeyREPFEDYYVSCOPH-UHFFFAOYSA-N
XLogP1.82
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 146094614
cis-(1S,3R)-2,2-dimethyl-3-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122066375
N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 4998664
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 50755881
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119497807
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride (CID 120873237) is 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride is Cc1ccccc1-c1nc(CNC(=O)CC(C)N)no1.Cl.
What is the InChIKey of 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride?
The InChIKey is REPFEDYYVSCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-9-5-3-4-6-11(9)14-17-12(18-20-14)8-16-13(19)7-10(2)15;/h3-6,10H,7-8,15H2,1-2H3,(H,16,19);1H.
What are the key properties of 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride?
3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120873237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).