(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol

C5H9NO2 — CID 12701348

IUPAC(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
SMILESCC1=NOC(CO)C1
InChIInChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3
InChIKeyIULDMOIFJXPJQE-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.14
Rot. Bonds1

About (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol

(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol (PubChem CID 12701348) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
PubChem CID12701348
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
SMILESCC1=NOC(CO)C1
InChIInChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3
InChIKeyIULDMOIFJXPJQE-UHFFFAOYSA-N
XLogP0.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol (CID 12701348) is (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol is CC1=NOC(CO)C1.
What is the InChIKey of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The InChIKey is IULDMOIFJXPJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3.
What are the key properties of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol has a molecular weight of 115.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 12701348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).