(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide

C16H20N4O3 — CID 155492230

IUPAC(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESN[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3ncon3)cc2)CC[C@H]1O
InChIInChI=1S/C16H20N4O3/c17-13-7-12(5-6-14(13)21)16(22)18-8-10-1-3-11(4-2-10)15-19-9-23-20-15/h1-4,9,12-14,21H,5-8,17H2,(H,18,22)/t12-,13+,14+/m0/s1
InChIKeyUKAGFHIAUZUSCC-BFHYXJOUSA-N
MW316.36 g/mol
LogP0.84
Rot. Bonds4

About (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide

(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 155492230) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID155492230
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESN[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3ncon3)cc2)CC[C@H]1O
InChIInChI=1S/C16H20N4O3/c17-13-7-12(5-6-14(13)21)16(22)18-8-10-1-3-11(4-2-10)15-19-9-23-20-15/h1-4,9,12-14,21H,5-8,17H2,(H,18,22)/t12-,13+,14+/m0/s1
InChIKeyUKAGFHIAUZUSCC-BFHYXJOUSA-N
XLogP0.84
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 125163304
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155938702
3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119762129
3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
CID 155496364
3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119778405
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773460
(1S,3R,4R)-4-amino-3-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940236
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide (CID 155492230) is (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide is N[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3ncon3)cc2)CC[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is UKAGFHIAUZUSCC-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-13-7-12(5-6-14(13)21)16(22)18-8-10-1-3-11(4-2-10)15-19-9-23-20-15/h1-4,9,12-14,21H,5-8,17H2,(H,18,22)/t12-,13+,14+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide?
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155492230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).