3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide

C17H22N4O2 — CID 119815832

IUPAC3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide
SMILESCCc1noc(-c2ccc(C)c(NC(=O)C3CCC(N)C3)c2)n1
InChIInChI=1S/C17H22N4O2/c1-3-15-20-17(23-21-15)12-5-4-10(2)14(9-12)19-16(22)11-6-7-13(18)8-11/h4-5,9,11,13H,3,6-8,18H2,1-2H3,(H,19,22)
InChIKeyPZYMWTLFOKFVTA-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide

3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide (PubChem CID 119815832) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide
PubChem CID119815832
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide
SMILESCCc1noc(-c2ccc(C)c(NC(=O)C3CCC(N)C3)c2)n1
InChIInChI=1S/C17H22N4O2/c1-3-15-20-17(23-21-15)12-5-4-10(2)14(9-12)19-16(22)11-6-7-13(18)8-11/h4-5,9,11,13H,3,6-8,18H2,1-2H3,(H,19,22)
InChIKeyPZYMWTLFOKFVTA-UHFFFAOYSA-N
XLogP2.67
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086313
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119815839
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936708
3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 66008738
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926780
1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea
CID 126789590
3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea
CID 111859335
3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide
CID 120611694
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119815843

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide (CID 119815832) is 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide is CCc1noc(-c2ccc(C)c(NC(=O)C3CCC(N)C3)c2)n1.
What is the InChIKey of 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide?
The InChIKey is PZYMWTLFOKFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-15-20-17(23-21-15)12-5-4-10(2)14(9-12)19-16(22)11-6-7-13(18)8-11/h4-5,9,11,13H,3,6-8,18H2,1-2H3,(H,19,22).
What are the key properties of 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide?
3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119815832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).