N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

C15H21ClN4O2S — CID 119474585

IUPACN-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C15H20N4O2S.ClH/c16-10-3-5-11(6-4-10)17-13(20)7-8-14-18-15(19-21-14)12-2-1-9-22-12;/h1-2,9-11H,3-8,16H2,(H,17,20);1H
InChIKeyLQZSTBXRRNGBLE-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.54
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (PubChem CID 119474585) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
PubChem CID119474585
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC NameN-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C15H20N4O2S.ClH/c16-10-3-5-11(6-4-10)17-13(20)7-8-14-18-15(19-21-14)12-2-1-9-22-12;/h1-2,9-11H,3-8,16H2,(H,17,20);1H
InChIKeyLQZSTBXRRNGBLE-UHFFFAOYSA-N
XLogP2.54
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478867
ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
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CID 24679617
N-(1,1-dioxothiolan-3-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453480
N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120599434
N-(1-methylsulfonylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 86989875
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47031549
N-[2-(cycloheptylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119619263
N-piperidin-3-yl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119429004
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 49055169
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (CID 119474585) is N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is Cl.NC1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The InChIKey is LQZSTBXRRNGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c16-10-3-5-11(6-4-10)17-13(20)7-8-14-18-15(19-21-14)12-2-1-9-22-12;/h1-2,9-11H,3-8,16H2,(H,17,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 119474585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).