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

C16H29ClN4O2 — CID 119478368

IUPACN-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCC(C)(C)c1noc(CCCC(=O)NC2CCC(N)CC2)n1.Cl
InChIInChI=1S/C16H28N4O2.ClH/c1-16(2,3)15-19-14(22-20-15)6-4-5-13(21)18-12-9-7-11(17)8-10-12;/h11-12H,4-10,17H2,1-3H3,(H,18,21);1H
InChIKeyQTPIMJQPRLAUTM-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.50
Rot. Bonds5

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

N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119478368) has the molecular formula C16H29ClN4O2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119478368
Molecular FormulaC16H29ClN4O2
Molecular Weight344.89 g/mol
Exact Mass344.20
IUPAC NameN-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCC(C)(C)c1noc(CCCC(=O)NC2CCC(N)CC2)n1.Cl
InChIInChI=1S/C16H28N4O2.ClH/c1-16(2,3)15-19-14(22-20-15)6-4-5-13(21)18-12-9-7-11(17)8-10-12;/h11-12H,4-10,17H2,1-3H3,(H,18,21);1H
InChIKeyQTPIMJQPRLAUTM-UHFFFAOYSA-N
XLogP2.50
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide
CID 38415452
N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478867
N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692
N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119567894
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119463876
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 46445575
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[3-(methylamino)piperidin-1-yl]butan-1-one
CID 119492880
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 119634070
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride
CID 119477173
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]butanamide
CID 97262392

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119478368) is N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CC(C)(C)c1noc(CCCC(=O)NC2CCC(N)CC2)n1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is QTPIMJQPRLAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.ClH/c1-16(2,3)15-19-14(22-20-15)6-4-5-13(21)18-12-9-7-11(17)8-10-12;/h11-12H,4-10,17H2,1-3H3,(H,18,21);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119478368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).