(1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol

C18H21FN2O3 — CID 136585792

IUPAC(1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol
SMILESO[C@@H]1C[C@@H](NCc2coc(-c3ccc(F)cc3)n2)C12CCOCC2
InChIInChI=1S/C18H21FN2O3/c19-13-3-1-12(2-4-13)17-21-14(11-24-17)10-20-15-9-16(22)18(15)5-7-23-8-6-18/h1-4,11,15-16,20,22H,5-10H2/t15-,16-/m1/s1
InChIKeyGENPVCNDKKRLDR-HZPDHXFCSA-N
MW332.38 g/mol
LogP2.50
Rot. Bonds4

About (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol

(1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol (PubChem CID 136585792) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name(1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol
PubChem CID136585792
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol
SMILESO[C@@H]1C[C@@H](NCc2coc(-c3ccc(F)cc3)n2)C12CCOCC2
InChIInChI=1S/C18H21FN2O3/c19-13-3-1-12(2-4-13)17-21-14(11-24-17)10-20-15-9-16(22)18(15)5-7-23-8-6-18/h1-4,11,15-16,20,22H,5-10H2/t15-,16-/m1/s1
InChIKeyGENPVCNDKKRLDR-HZPDHXFCSA-N
XLogP2.50
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol with MolForge

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Related Compounds

1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81157443
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
CID 56682845
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31688665
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928002
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56671971
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728203
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120932270

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol?
The IUPAC name of (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol (CID 136585792) is (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol.
What is the SMILES notation for (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol?
The canonical SMILES for (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol is O[C@@H]1C[C@@H](NCc2coc(-c3ccc(F)cc3)n2)C12CCOCC2.
What is the InChIKey of (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol?
The InChIKey is GENPVCNDKKRLDR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-13-3-1-12(2-4-13)17-21-14(11-24-17)10-20-15-9-16(22)18(15)5-7-23-8-6-18/h1-4,11,15-16,20,22H,5-10H2/t15-,16-/m1/s1.
What are the key properties of (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol?
(1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol has a molecular weight of 332.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 136585792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).