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

C6H11NO2 — CID 14091076

IUPAC(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol
SMILESCC1=NOC(C)C1CO
InChIInChI=1S/C6H11NO2/c1-4-6(3-8)5(2)9-7-4/h5-6,8H,3H2,1-2H3
InChIKeyZCMGMRBVQVNRHP-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.39
Rot. Bonds1

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

(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol (PubChem CID 14091076) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol
PubChem CID14091076
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol
SMILESCC1=NOC(C)C1CO
InChIInChI=1S/C6H11NO2/c1-4-6(3-8)5(2)9-7-4/h5-6,8H,3H2,1-2H3
InChIKeyZCMGMRBVQVNRHP-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794212
2-(N-hydroxy-C-methylcarbonimidoyl)cyclopropan-1-ol
CID 178244317
(3E)-3-hydroxyimino-2-methylbutan-1-ol
CID 12441458
3,4,5-Trimethyl-4,5-dihydro-1,2-oxazole
CID 12794213
(4R,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794215
(3Z)-3-hydroxyimino-2-methylbutan-1-ol
CID 59054650
4-Ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole
CID 59735474
3-Hydroxyimino-2-methylbutan-1-ol
CID 72502326
(4R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 89185386
(3S,4S)-5-hydroxyimino-2,4-dimethylhexan-3-ol
CID 89970047
4-Hydroxyiminopentan-2-ol
CID 130124672
(3Z)-3-hydroxyimino-4-methylpentan-2-ol
CID 132984765

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol?
The IUPAC name of (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol (CID 14091076) is (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol.
What is the SMILES notation for (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol?
The canonical SMILES for (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol is CC1=NOC(C)C1CO.
What is the InChIKey of (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol?
The InChIKey is ZCMGMRBVQVNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-6(3-8)5(2)9-7-4/h5-6,8H,3H2,1-2H3.
What are the key properties of (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol?
(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol has a molecular weight of 129.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol is sourced from PubChem (CID 14091076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).