[(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol

C12H15N3O3 — CID 99936455

IUPAC[(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol
SMILESOC[C@H]1COCCN1Cc1cccc2nonc12
InChIInChI=1S/C12H15N3O3/c16-7-10-8-17-5-4-15(10)6-9-2-1-3-11-12(9)14-18-13-11/h1-3,10,16H,4-8H2/t10-/m0/s1
InChIKeyGZQPQMWDMQCCFL-JTQLQIEISA-N
MW249.27 g/mol
LogP0.42
Rot. Bonds3

About [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol

[(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol (PubChem CID 99936455) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol
PubChem CID99936455
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name[(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol
SMILESOC[C@H]1COCCN1Cc1cccc2nonc12
InChIInChI=1S/C12H15N3O3/c16-7-10-8-17-5-4-15(10)6-9-2-1-3-11-12(9)14-18-13-11/h1-3,10,16H,4-8H2/t10-/m0/s1
InChIKeyGZQPQMWDMQCCFL-JTQLQIEISA-N
XLogP0.42
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-methylpiperazin-2-yl]ethanol
CID 166324463
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
[4-[[2-(5-methylfuran-2-yl)phenyl]methyl]morpholin-3-yl]methanol
CID 77083592
3-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-2-yl]ethyl]phenol
CID 131907120
[(3R,4S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[(4-ethylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72928279
N-methyl-1-[4-(quinolin-8-ylmethyl)morpholin-3-yl]methanamine
CID 83099652
[4-[(6-methylquinolin-5-yl)methyl]morpholin-3-yl]methanol
CID 74232945
(3S)-2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99951668
4-[[(4R)-4-methylazocan-1-yl]methyl]-2,1,3-benzoxadiazole
CID 70887571
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
4-[[3-(hydroxymethyl)morpholin-4-yl]methyl]-3-methylbenzenecarbothioamide
CID 114482048
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol
CID 124846677

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol (CID 99936455) is [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol is OC[C@H]1COCCN1Cc1cccc2nonc12.
What is the InChIKey of [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol?
The InChIKey is GZQPQMWDMQCCFL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3O3/c16-7-10-8-17-5-4-15(10)6-9-2-1-3-11-12(9)14-18-13-11/h1-3,10,16H,4-8H2/t10-/m0/s1.
What are the key properties of [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol?
[(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol has a molecular weight of 249.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)morpholin-3-yl]methanol is sourced from PubChem (CID 99936455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).