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

C20H34ClN5O3 — CID 119477173

IUPAC3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride
SMILESCC(=O)NC1(c2noc(CCC(=O)NC3CCC(N)CC3)n2)CCCCCC1.Cl
InChIInChI=1S/C20H33N5O3.ClH/c1-14(26)24-20(12-4-2-3-5-13-20)19-23-18(28-25-19)11-10-17(27)22-16-8-6-15(21)7-9-16;/h15-16H,2-13,21H2,1H3,(H,22,27)(H,24,26);1H
InChIKeyQGLZOCUBDKFMEE-UHFFFAOYSA-N
MW427.98 g/mol
LogP2.50
Rot. Bonds6

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

3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride (PubChem CID 119477173) has the molecular formula C20H34ClN5O3 and a molecular weight of 427.98 g/mol. Its IUPAC name is 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride
PubChem CID119477173
Molecular FormulaC20H34ClN5O3
Molecular Weight427.98 g/mol
Exact Mass427.24
IUPAC Name3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride
SMILESCC(=O)NC1(c2noc(CCC(=O)NC3CCC(N)CC3)n2)CCCCCC1.Cl
InChIInChI=1S/C20H33N5O3.ClH/c1-14(26)24-20(12-4-2-3-5-13-20)19-23-18(28-25-19)11-10-17(27)22-16-8-6-15(21)7-9-16;/h15-16H,2-13,21H2,1H3,(H,22,27)(H,24,26);1H
InChIKeyQGLZOCUBDKFMEE-UHFFFAOYSA-N
XLogP2.50
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride with MolForge

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Related Compounds

3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119427167
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)ethyl]propanamide
CID 119502551
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(1-amino-2,3-dimethylbutan-2-yl)propanamide
CID 119607563
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide
CID 47781119
N-[1-[5-(3-oxo-3-piperazin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 119402321
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]propanamide
CID 56558994
N-[1-[5-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide;hydrochloride
CID 120571096
2-[3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]propanoyl-propan-2-ylamino]acetic acid
CID 119198785
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenoxyphenyl)propanamide
CID 52738993
N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478368
N-[1-[5-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 60573493
N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide
CID 136533178

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride (CID 119477173) is 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride is CC(=O)NC1(c2noc(CCC(=O)NC3CCC(N)CC3)n2)CCCCCC1.Cl.
What is the InChIKey of 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride?
The InChIKey is QGLZOCUBDKFMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3.ClH/c1-14(26)24-20(12-4-2-3-5-13-20)19-23-18(28-25-19)11-10-17(27)22-16-8-6-15(21)7-9-16;/h15-16H,2-13,21H2,1H3,(H,22,27)(H,24,26);1H.
What are the key properties of 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride?
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 119477173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).