(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol

C16H22N2O3 — CID 97078677

IUPAC(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol
SMILESO[C@@H](C[C@@H]1CCCCCN1Cc1ccon1)c1ccco1
InChIInChI=1S/C16H22N2O3/c19-15(16-6-4-9-20-16)11-14-5-2-1-3-8-18(14)12-13-7-10-21-17-13/h4,6-7,9-10,14-15,19H,1-3,5,8,11-12H2/t14-,15-/m0/s1
InChIKeyLFQBENIZJANLJB-GJZGRUSLSA-N
MW290.36 g/mol
LogP3.14
Rot. Bonds5

About (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol

(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol (PubChem CID 97078677) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol
PubChem CID97078677
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol
SMILESO[C@@H](C[C@@H]1CCCCCN1Cc1ccon1)c1ccco1
InChIInChI=1S/C16H22N2O3/c19-15(16-6-4-9-20-16)11-14-5-2-1-3-8-18(14)12-13-7-10-21-17-13/h4,6-7,9-10,14-15,19H,1-3,5,8,11-12H2/t14-,15-/m0/s1
InChIKeyLFQBENIZJANLJB-GJZGRUSLSA-N
XLogP3.14
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)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
(1R)-2-[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 97078680
(1S)-2-[(2S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 124872222
(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol
CID 97078670
(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 97078704
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 71852465
2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97078667
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 167964277
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
CID 119911607
[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 97240212
[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 125131336
(5-chlorofuran-2-yl)-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 75387563

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol?
The IUPAC name of (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol (CID 97078677) is (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol.
What is the SMILES notation for (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol?
The canonical SMILES for (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol is O[C@@H](C[C@@H]1CCCCCN1Cc1ccon1)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol?
The InChIKey is LFQBENIZJANLJB-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(16-6-4-9-20-16)11-14-5-2-1-3-8-18(14)12-13-7-10-21-17-13/h4,6-7,9-10,14-15,19H,1-3,5,8,11-12H2/t14-,15-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol?
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol has a molecular weight of 290.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol is sourced from PubChem (CID 97078677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).