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

C17H22N4O2 — CID 119813900

IUPAC3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCC(N)C1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c1-11(19-16(22)13-8-5-9-14(18)10-13)15-20-17(23-21-15)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,22)
InChIKeyPMHQHDVQZPHIHI-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.43
Rot. Bonds4

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

3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119813900) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119813900
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCC(N)C1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c1-11(19-16(22)13-8-5-9-14(18)10-13)15-20-17(23-21-15)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,22)
InChIKeyPMHQHDVQZPHIHI-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795867
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
CID 120502036
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340919
(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97089634
trans-(1S,3S)-3-amino-N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 125153878
N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813905
3-amino-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 119787151
3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119895790
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119817371
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 119813900) is 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCCC(N)C1)c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is PMHQHDVQZPHIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(19-16(22)13-8-5-9-14(18)10-13)15-20-17(23-21-15)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,22).
What are the key properties of 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119813900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).