(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol

C16H24N4O2 — CID 97078670

IUPAC(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol
SMILESO[C@H](C[C@H]1CCCCCN1CCn1cncn1)c1ccco1
InChIInChI=1S/C16H24N4O2/c21-15(16-6-4-10-22-16)11-14-5-2-1-3-7-19(14)8-9-20-13-17-12-18-20/h4,6,10,12-15,21H,1-3,5,7-9,11H2/t14-,15-/m1/s1
InChIKeyVBVHTTLHRWWPTP-HUUCEWRRSA-N
MW304.39 g/mol
LogP2.24
Rot. Bonds6

About (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol

(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol (PubChem CID 97078670) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol
PubChem CID97078670
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol
SMILESO[C@H](C[C@H]1CCCCCN1CCn1cncn1)c1ccco1
InChIInChI=1S/C16H24N4O2/c21-15(16-6-4-10-22-16)11-14-5-2-1-3-7-19(14)8-9-20-13-17-12-18-20/h4,6,10,12-15,21H,1-3,5,7-9,11H2/t14-,15-/m1/s1
InChIKeyVBVHTTLHRWWPTP-HUUCEWRRSA-N
XLogP2.24
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol with MolForge

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Related Compounds

(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol
CID 97078677
(1S)-2-[(2S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 124872222
1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 75387548
(1R)-2-[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 97078680
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 71852465
(5-chloropyrimidin-4-yl)-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97326179
2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97078667
N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 119928396
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 167964277
(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 97078704
[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 97240212

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol?
The IUPAC name of (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol (CID 97078670) is (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol?
The canonical SMILES for (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol is O[C@H](C[C@H]1CCCCCN1CCn1cncn1)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol?
The InChIKey is VBVHTTLHRWWPTP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(16-6-4-10-22-16)11-14-5-2-1-3-7-19(14)8-9-20-13-17-12-18-20/h4,6,10,12-15,21H,1-3,5,7-9,11H2/t14-,15-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol?
(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol has a molecular weight of 304.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol is sourced from PubChem (CID 97078670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).