N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride

C14H19ClN4O2 — CID 119815839

IUPACN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCc1noc(-c2ccc(C)c(NC(=O)CNC)c2)n1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-4-12-17-14(20-18-12)10-6-5-9(2)11(7-10)16-13(19)8-15-3;/h5-7,15H,4,8H2,1-3H3,(H,16,19);1H
InChIKeyWKOQRKDPKSRIPX-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.19
Rot. Bonds5

About N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride

N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119815839) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119815839
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCc1noc(-c2ccc(C)c(NC(=O)CNC)c2)n1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-4-12-17-14(20-18-12)10-6-5-9(2)11(7-10)16-13(19)8-15-3;/h5-7,15H,4,8H2,1-3H3,(H,16,19);1H
InChIKeyWKOQRKDPKSRIPX-UHFFFAOYSA-N
XLogP2.19
TPSA80.05 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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide
CID 120611694
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926780
3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea
CID 111859335
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119815843
3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 119815832
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086313
1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea
CID 126789590
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936708
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 155949471
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 27211176

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride (CID 119815839) is N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride is CCc1noc(-c2ccc(C)c(NC(=O)CNC)c2)n1.Cl.
What is the InChIKey of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is WKOQRKDPKSRIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-4-12-17-14(20-18-12)10-6-5-9(2)11(7-10)16-13(19)8-15-3;/h5-7,15H,4,8H2,1-3H3,(H,16,19);1H.
What are the key properties of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride?
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119815839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).