[(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol

C8H11NO2 — CID 129407508

IUPAC[(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol
SMILESOC[C@@H]1CCc2oncc2C1
InChIInChI=1S/C8H11NO2/c10-5-6-1-2-8-7(3-6)4-9-11-8/h4,6,10H,1-3,5H2/t6-/m1/s1
InChIKeyYVLZGVZJSBKCCG-ZCFIWIBFSA-N
MW153.18 g/mol
LogP0.77
Rot. Bonds1

About [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol

[(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol (PubChem CID 129407508) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol
PubChem CID129407508
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name[(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol
SMILESOC[C@@H]1CCc2oncc2C1
InChIInChI=1S/C8H11NO2/c10-5-6-1-2-8-7(3-6)4-9-11-8/h4,6,10H,1-3,5H2/t6-/m1/s1
InChIKeyYVLZGVZJSBKCCG-ZCFIWIBFSA-N
XLogP0.77
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol (CID 129407508) is [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol is OC[C@@H]1CCc2oncc2C1.
What is the InChIKey of [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol?
The InChIKey is YVLZGVZJSBKCCG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO2/c10-5-6-1-2-8-7(3-6)4-9-11-8/h4,6,10H,1-3,5H2/t6-/m1/s1.
What are the key properties of [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol?
[(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol has a molecular weight of 153.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 129407508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).