3,4,5,5-tetramethyl-4H-1,2-oxazole

C7H13NO — CID 14916920

IUPAC3,4,5,5-tetramethyl-4H-1,2-oxazole
SMILESCC1=NOC(C)(C)C1C
InChIInChI=1S/C7H13NO/c1-5-6(2)8-9-7(5,3)4/h5H,1-4H3
InChIKeyDUSPRMUKQNFUOQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.81
Rot. Bonds

About 3,4,5,5-tetramethyl-4H-1,2-oxazole

3,4,5,5-tetramethyl-4H-1,2-oxazole (PubChem CID 14916920) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,4,5,5-tetramethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3,4,5,5-tetramethyl-4H-1,2-oxazole
PubChem CID14916920
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3,4,5,5-tetramethyl-4H-1,2-oxazole
SMILESCC1=NOC(C)(C)C1C
InChIInChI=1S/C7H13NO/c1-5-6(2)8-9-7(5,3)4/h5H,1-4H3
InChIKeyDUSPRMUKQNFUOQ-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,5-tetramethyl-4H-1,2-oxazole?
The IUPAC name of 3,4,5,5-tetramethyl-4H-1,2-oxazole (CID 14916920) is 3,4,5,5-tetramethyl-4H-1,2-oxazole.
What is the SMILES notation for 3,4,5,5-tetramethyl-4H-1,2-oxazole?
The canonical SMILES for 3,4,5,5-tetramethyl-4H-1,2-oxazole is CC1=NOC(C)(C)C1C.
What is the InChIKey of 3,4,5,5-tetramethyl-4H-1,2-oxazole?
The InChIKey is DUSPRMUKQNFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(2)8-9-7(5,3)4/h5H,1-4H3.
What are the key properties of 3,4,5,5-tetramethyl-4H-1,2-oxazole?
3,4,5,5-tetramethyl-4H-1,2-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5-tetramethyl-4H-1,2-oxazole is sourced from PubChem (CID 14916920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).