1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol

C15H16F2N2O3 — CID 138017546

IUPAC1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol
SMILESOC(CNCc1noc2c1COCC2)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N2O3/c16-10-2-1-3-11(17)15(10)13(20)7-18-6-12-9-8-21-5-4-14(9)22-19-12/h1-3,13,18,20H,4-8H2
InChIKeyWSOQBYKYUOXYEA-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.85
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol

1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol (PubChem CID 138017546) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol
PubChem CID138017546
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol
SMILESOC(CNCc1noc2c1COCC2)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N2O3/c16-10-2-1-3-11(17)15(10)13(20)7-18-6-12-9-8-21-5-4-14(9)22-19-12/h1-3,13,18,20H,4-8H2
InChIKeyWSOQBYKYUOXYEA-UHFFFAOYSA-N
XLogP1.85
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol with MolForge

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Related Compounds

1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
CID 63711662
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
CID 110898133
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116017
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64911588
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol
CID 167864929
1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
CID 115891595
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111449320

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol (CID 138017546) is 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol is OC(CNCc1noc2c1COCC2)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol?
The InChIKey is WSOQBYKYUOXYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c16-10-2-1-3-11(17)15(10)13(20)7-18-6-12-9-8-21-5-4-14(9)22-19-12/h1-3,13,18,20H,4-8H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol?
1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol has a molecular weight of 310.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)ethanol is sourced from PubChem (CID 138017546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).