1,3-oxazol-4-ylmethanol

C4H5NO2 — CID 15930578

IUPAC1,3-oxazol-4-ylmethanol
SMILESOCc1cocn1
InChIInChI=1S/C4H5NO2/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
InChIKeyBKHIXCNJVHVHAG-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.17
Rot. Bonds1

About 1,3-oxazol-4-ylmethanol

1,3-oxazol-4-ylmethanol (PubChem CID 15930578) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 1,3-oxazol-4-ylmethanol.

Molecular Properties

Compound Name1,3-oxazol-4-ylmethanol
PubChem CID15930578
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name1,3-oxazol-4-ylmethanol
SMILESOCc1cocn1
InChIInChI=1S/C4H5NO2/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
InChIKeyBKHIXCNJVHVHAG-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

4-Methyloxazole
CID 69663
(2-Methyl-1,3-oxazol-4-yl)methanol
CID 5324810
1,3-Oxazole-4-carboxylic acid
CID 14281430
1-(1,3-Oxazol-4-yl)ethan-1-ol
CID 17813802
(2-Bromo-1,3-oxazol-4-yl)methanol
CID 37818706
(1R)-1-(1,3-oxazol-4-yl)ethan-1-ol
CID 130351725
1,3-Oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 90318831
4-(Fluoromethyl)-1,3-oxazole
CID 118281859
[2-(Fluoromethyl)-1,3-oxazol-4-yl]methanol
CID 122423770
(1S)-1-(1,3-oxazol-4-yl)ethanol
CID 130351873
[2-(Trifluoromethyl)-1,3-oxazol-4-yl]methanol
CID 84652557
[2-(2,2,2-Trifluoroethoxy)-1,3-oxazol-4-yl]methanol
CID 104115624

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-4-ylmethanol?
The IUPAC name of 1,3-oxazol-4-ylmethanol (CID 15930578) is 1,3-oxazol-4-ylmethanol.
What is the SMILES notation for 1,3-oxazol-4-ylmethanol?
The canonical SMILES for 1,3-oxazol-4-ylmethanol is OCc1cocn1.
What is the InChIKey of 1,3-oxazol-4-ylmethanol?
The InChIKey is BKHIXCNJVHVHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-1-4-2-7-3-5-4/h2-3,6H,1H2.
What are the key properties of 1,3-oxazol-4-ylmethanol?
1,3-oxazol-4-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 1,3-oxazol-4-ylmethanol is sourced from PubChem (CID 15930578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).