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

C16H23ClN4O2S — CID 119478867

IUPACN-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C16H22N4O2S.ClH/c17-11-6-8-12(9-7-11)18-14(21)4-1-5-15-19-16(20-22-15)13-3-2-10-23-13;/h2-3,10-12H,1,4-9,17H2,(H,18,21);1H
InChIKeyOQGHKZGUQZWZRV-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.93
Rot. Bonds6

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

N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119478867) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119478867
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC NameN-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C16H22N4O2S.ClH/c17-11-6-8-12(9-7-11)18-14(21)4-1-5-15-19-16(20-22-15)13-3-2-10-23-13;/h2-3,10-12H,1,4-9,17H2,(H,18,21);1H
InChIKeyOQGHKZGUQZWZRV-UHFFFAOYSA-N
XLogP2.93
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119474585
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N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
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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-piperidin-3-yl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119429004
ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 18120693
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 112824013
N-(3-cyclohexylpropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46461523
N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 97018156
N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
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N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119478867) is N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is Cl.NC1CCC(NC(=O)CCCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is OQGHKZGUQZWZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c17-11-6-8-12(9-7-11)18-14(21)4-1-5-15-19-16(20-22-15)13-3-2-10-23-13;/h2-3,10-12H,1,4-9,17H2,(H,18,21);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119478867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).