2-hydroxy-3H-1,2-benzoxazole

C7H7NO2 — CID 91041967

IUPAC2-hydroxy-3H-1,2-benzoxazole
SMILESON1Cc2ccccc2O1
InChIInChI=1S/C7H7NO2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2
InChIKeyCCQULCVIHUJHEE-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.19
Rot. Bonds

About 2-hydroxy-3H-1,2-benzoxazole

2-hydroxy-3H-1,2-benzoxazole (PubChem CID 91041967) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-hydroxy-3H-1,2-benzoxazole.

Molecular Properties

Compound Name2-hydroxy-3H-1,2-benzoxazole
PubChem CID91041967
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-hydroxy-3H-1,2-benzoxazole
SMILESON1Cc2ccccc2O1
InChIInChI=1S/C7H7NO2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2
InChIKeyCCQULCVIHUJHEE-UHFFFAOYSA-N
XLogP1.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-sulfanyl-3H-1,2-benzoxazole
CID 19388214
2-tert-butyl-3H-1,2-benzoxazole
CID 86109552
11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine
CID 102106575
5-iodo-6H-benzo[b][1,4]benzoxazepine
CID 142383988
(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]propan-1-ol
CID 103960137
3-(2,4-dihydro-1,3-benzoxazin-3-ylmethyl)-2,4-dihydro-1,3-benzoxazine;ethane
CID 162155104
4-(benzotriazol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 11822016
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)prop-2-en-1-amine
CID 103070559
9H-pyrazolo[5,1-b][1,3]benzoxazine
CID 134851058
2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine
CID 130304754
9H-xanthene
CID 7107

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3H-1,2-benzoxazole?
The IUPAC name of 2-hydroxy-3H-1,2-benzoxazole (CID 91041967) is 2-hydroxy-3H-1,2-benzoxazole.
What is the SMILES notation for 2-hydroxy-3H-1,2-benzoxazole?
The canonical SMILES for 2-hydroxy-3H-1,2-benzoxazole is ON1Cc2ccccc2O1.
What is the InChIKey of 2-hydroxy-3H-1,2-benzoxazole?
The InChIKey is CCQULCVIHUJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2.
What are the key properties of 2-hydroxy-3H-1,2-benzoxazole?
2-hydroxy-3H-1,2-benzoxazole has a molecular weight of 137.14 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3H-1,2-benzoxazole is sourced from PubChem (CID 91041967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).