[(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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Related Compounds

[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
CID 18356979
3-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propane-1-sulfonamide
CID 167855755
tert-butyl 2-[(2R)-4-benzyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetate
CID 157194590
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 139990414
ethyl (2S)-4-benzyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 162859057
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
3-propyl-1-(pyridin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907109
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 82114095
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 82112897
N-[(2,6-dichloro-4-pyridinyl)methyl]-1-[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]-N-methylmethanamine
CID 52536708

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).