[(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol

C15H16N2O2 — CID 97238204

IUPAC[(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
SMILESOC[C@H]1CN(Cc2ccncc2)c2ccccc2O1
InChIInChI=1S/C15H16N2O2/c18-11-13-10-17(9-12-5-7-16-8-6-12)14-3-1-2-4-15(14)19-13/h1-8,13,18H,9-11H2/t13-/m1/s1
InChIKeySIRGBMKKPXMPNP-CYBMUJFWSA-N
MW256.31 g/mol
LogP1.84
Rot. Bonds3

About [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol

[(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol (PubChem CID 97238204) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
PubChem CID97238204
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
SMILESOC[C@H]1CN(Cc2ccncc2)c2ccccc2O1
InChIInChI=1S/C15H16N2O2/c18-11-13-10-17(9-12-5-7-16-8-6-12)14-3-1-2-4-15(14)19-13/h1-8,13,18H,9-11H2/t13-/m1/s1
InChIKeySIRGBMKKPXMPNP-CYBMUJFWSA-N
XLogP1.84
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The IUPAC name of [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol (CID 97238204) is [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The canonical SMILES for [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol is OC[C@H]1CN(Cc2ccncc2)c2ccccc2O1.
What is the InChIKey of [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The InChIKey is SIRGBMKKPXMPNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-11-13-10-17(9-12-5-7-16-8-6-12)14-3-1-2-4-15(14)19-13/h1-8,13,18H,9-11H2/t13-/m1/s1.
What are the key properties of [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
[(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol has a molecular weight of 256.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol is sourced from PubChem (CID 97238204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).