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

C6H9NO — CID 25375

IUPAC3,4,5-trimethyl-1,2-oxazole
SMILESCc1noc(C)c1C
InChIInChI=1S/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3
InChIKeyMGHKWBQZEBMFOH-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.60
Rot. Bonds

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

3,4,5-trimethyl-1,2-oxazole (PubChem CID 25375) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

Compound Name3,4,5-trimethyl-1,2-oxazole
PubChem CID25375
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3,4,5-trimethyl-1,2-oxazole
SMILESCc1noc(C)c1C
InChIInChI=1S/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3
InChIKeyMGHKWBQZEBMFOH-UHFFFAOYSA-N
XLogP1.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
acetonitrile oxide;but-2-yne;3,4,5-trimethyl-1,2-oxazole
CID 158758168
3-chloro-4,5-dimethyl-1,2-oxazole
CID 12746085
CID 58004744
CID 58004744
3,4-dimethyl-1,2-oxazol-5-amine;ethane
CID 145491487
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
5-(disulfanyl)-3,4-dimethyl-1,2-oxazole
CID 123958472
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
CID 147391521
5-[(1Z)-buta-1,3-dienyl]-3,4-dimethyl-1,2-oxazole
CID 145438869
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole
CID 151348234
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole chloride
CID 22500933

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1,2-oxazole?
The IUPAC name of 3,4,5-trimethyl-1,2-oxazole (CID 25375) is 3,4,5-trimethyl-1,2-oxazole.
What is the SMILES notation for 3,4,5-trimethyl-1,2-oxazole?
The canonical SMILES for 3,4,5-trimethyl-1,2-oxazole is Cc1noc(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1,2-oxazole?
The InChIKey is MGHKWBQZEBMFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3.
What are the key properties of 3,4,5-trimethyl-1,2-oxazole?
3,4,5-trimethyl-1,2-oxazole has a molecular weight of 111.14 g/mol, XLogP of 1.60, 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-1,2-oxazole is sourced from PubChem (CID 25375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).