3,4,5-trimethyl-4,5-dihydro-1,2-oxazole

C6H11NO — CID 12794213

IUPAC3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C)C1C
InChIInChI=1S/C6H11NO/c1-4-5(2)7-8-6(4)3/h4,6H,1-3H3
InChIKeyCETCMFCNCZKVTM-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.42
Rot. Bonds

About 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole

3,4,5-trimethyl-4,5-dihydro-1,2-oxazole (PubChem CID 12794213) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
PubChem CID12794213
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C)C1C
InChIInChI=1S/C6H11NO/c1-4-5(2)7-8-6(4)3/h4,6H,1-3H3
InChIKeyCETCMFCNCZKVTM-UHFFFAOYSA-N
XLogP1.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794212
3,4-dimethyl-5,6-dihydro-4H-1,2-oxazine
CID 12719496
(4R,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794215
3,4-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12959091
(3,5-Dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methanol
CID 14091076
5-Ethyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 14746748
3-Propan-2-yl-4,5-dihydro-1,2-oxazole
CID 19017381
5-Methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 20671522
5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole
CID 58182845
(5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 58601056
5-Methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium
CID 58618695

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole (CID 12794213) is 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole is CC1=NOC(C)C1C.
What is the InChIKey of 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is CETCMFCNCZKVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)7-8-6(4)3/h4,6H,1-3H3.
What are the key properties of 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole?
3,4,5-trimethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 12794213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).