(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol

C6H11NO2 — CID 22121131

IUPAC(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC1=NOC(C)(CO)C1
InChIInChI=1S/C6H11NO2/c1-5-3-6(2,4-8)9-7-5/h8H,3-4H2,1-2H3
InChIKeyDGQXHGAWPPLHCX-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.53
Rot. Bonds1

About (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol

(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol (PubChem CID 22121131) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
PubChem CID22121131
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC1=NOC(C)(CO)C1
InChIInChI=1S/C6H11NO2/c1-5-3-6(2,4-8)9-7-5/h8H,3-4H2,1-2H3
InChIKeyDGQXHGAWPPLHCX-UHFFFAOYSA-N
XLogP0.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 12701348
3-Tert-butyl-5-hydroxymethyl-5-methylisoxazoline
CID 10997486
4,5-Dihydro-5,5-dimethyl-3-isoxazolemethanol
CID 102278697
[(5R)-3-ethyl-5-methyl-4H-1,2-oxazol-5-yl]methanol
CID 122400074
1-(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
CID 14200424
(5-methyl-3-propyl-4H-1,2-oxazol-5-yl)methanol
CID 22121110
[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 44141775
[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 44141776
(4E)-4-methoxyimino-2-methylpentan-2-ol
CID 57576724
4-Methoxyimino-2-methylpentan-2-ol
CID 76609487
[5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol
CID 89224822
(3Z)-3-hydroxyimino-4-methylpentane-1,2-diol
CID 89564243

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol (CID 22121131) is (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol is CC1=NOC(C)(CO)C1.
What is the InChIKey of (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol?
The InChIKey is DGQXHGAWPPLHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-3-6(2,4-8)9-7-5/h8H,3-4H2,1-2H3.
What are the key properties of (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol?
(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol has a molecular weight of 129.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 22121131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).