(1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide

C19H32N4O3 — CID 155498616

IUPAC(1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)CC[C@H]1N
InChIInChI=1S/C19H32N4O3/c1-2-11-25-16-12-14(7-8-15(16)20)18(24)21-10-9-17-22-19(26-23-17)13-5-3-4-6-13/h13-16H,2-12,20H2,1H3,(H,21,24)/t14-,15+,16+/m0/s1
InChIKeyPMAILTKZNNCRRV-ARFHVFGLSA-N
MW364.49 g/mol
LogP2.31
Rot. Bonds8

About (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide

(1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide (PubChem CID 155498616) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide
PubChem CID155498616
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name(1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)CC[C@H]1N
InChIInChI=1S/C19H32N4O3/c1-2-11-25-16-12-14(7-8-15(16)20)18(24)21-10-9-17-22-19(26-23-17)13-5-3-4-6-13/h13-16H,2-12,20H2,1H3,(H,21,24)/t14-,15+,16+/m0/s1
InChIKeyPMAILTKZNNCRRV-ARFHVFGLSA-N
XLogP2.31
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,3R,4R)-4-amino-N-(3-phenylpropyl)-3-propoxycyclohexane-1-carboxamide
CID 154817706
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethoxypropanamide
CID 126436754
(1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride
CID 155972383
(3R)-3-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97193869
(1S,3R,4R)-4-amino-3-propoxy-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 163334035
(1S,3R,4R)-4-amino-3-propoxy-N-(pyrazin-2-ylmethyl)cyclohexane-1-carboxamide
CID 155500784
(1S,3R,4R)-3-amino-4-methoxy-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155939238
(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 163334574
(1S,3R,4R)-4-amino-3-propoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 155940694
(1S,3R,4R)-4-amino-N-[(3,4-dichlorophenyl)methyl]-3-propoxycyclohexane-1-carboxamide;formic acid
CID 155939771
(1S,3R,4R)-3-amino-4-propoxy-N-[2-(3-propoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155938128
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methyloxolane-2-carboxamide
CID 126446991

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide (CID 155498616) is (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide is CCCO[C@@H]1C[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)CC[C@H]1N.
What is the InChIKey of (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide?
The InChIKey is PMAILTKZNNCRRV-ARFHVFGLSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-2-11-25-16-12-14(7-8-15(16)20)18(24)21-10-9-17-22-19(26-23-17)13-5-3-4-6-13/h13-16H,2-12,20H2,1H3,(H,21,24)/t14-,15+,16+/m0/s1.
What are the key properties of (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide?
(1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 155498616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).