1,2-oxazol-5-ylmethanol

C4H5NO2 — CID 12905098

IUPAC1,2-oxazol-5-ylmethanol
SMILESOCc1ccno1
InChIInChI=1S/C4H5NO2/c6-3-4-1-2-5-7-4/h1-2,6H,3H2
InChIKeyQOOSRUMHBCVQFK-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.17
Rot. Bonds1

About 1,2-oxazol-5-ylmethanol

1,2-oxazol-5-ylmethanol (PubChem CID 12905098) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 1,2-oxazol-5-ylmethanol.

Molecular Properties

Compound Name1,2-oxazol-5-ylmethanol
PubChem CID12905098
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name1,2-oxazol-5-ylmethanol
SMILESOCc1ccno1
InChIInChI=1S/C4H5NO2/c6-3-4-1-2-5-7-4/h1-2,6H,3H2
InChIKeyQOOSRUMHBCVQFK-UHFFFAOYSA-N
XLogP0.17
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Oxazole-5-carboxylic acid
CID 2060599
(4-Bromo-1,2-oxazol-5-yl)methanol
CID 130706920
O-(1,2-oxazol-5-ylmethyl)hydroxylamine
CID 22924056
1,2-Oxazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69366853
(3-Fluoro-2-hydroxypropyl) 1,2-oxazole-5-carboperoxoate
CID 144391296
5-(Methoxymethyl)-1,2-oxazole
CID 19375004
1-(1,2-Oxazol-5-yl)ethan-1-ol
CID 21817601
3-Azido-1-(1,2-oxazol-5-yl)propan-1-ol
CID 22489065
O-(1,2-oxazol-5-ylmethyl)hydroxylamine;hydrochloride
CID 22924055
1-(1,2-Oxazol-5-yl)but-2-en-1-ol
CID 54048607
CID 58544165
CID 58544165
1-(1,2-Oxazol-5-yl)propan-1-ol
CID 58735870

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-ylmethanol?
The IUPAC name of 1,2-oxazol-5-ylmethanol (CID 12905098) is 1,2-oxazol-5-ylmethanol.
What is the SMILES notation for 1,2-oxazol-5-ylmethanol?
The canonical SMILES for 1,2-oxazol-5-ylmethanol is OCc1ccno1.
What is the InChIKey of 1,2-oxazol-5-ylmethanol?
The InChIKey is QOOSRUMHBCVQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-3-4-1-2-5-7-4/h1-2,6H,3H2.
What are the key properties of 1,2-oxazol-5-ylmethanol?
1,2-oxazol-5-ylmethanol has a molecular weight of 99.09 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-ylmethanol is sourced from PubChem (CID 12905098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).