3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole

C12H19NO3 — CID 151348234

IUPAC3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole
SMILESCc1noc(C)c1C1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H19NO3/c1-7-9(8(2)16-13-7)10-14-11(3,4)12(5,6)15-10/h10H,1-6H3
InChIKeyOLXUYFDOZJHDHL-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.89
Rot. Bonds1

About 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole

3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole (PubChem CID 151348234) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole
PubChem CID151348234
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole
SMILESCc1noc(C)c1C1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H19NO3/c1-7-9(8(2)16-13-7)10-14-11(3,4)12(5,6)15-10/h10H,1-6H3
InChIKeyOLXUYFDOZJHDHL-UHFFFAOYSA-N
XLogP2.89
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine
CID 178195152
trans-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178197210
3,4,5-trimethyl-1,2-oxazole
CID 25375
2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one
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(1R,2R,6S,7S)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 59584622
3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one
CID 82401135
CID 58004744
CID 58004744
2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
CID 162491525
methyl (1S,3R,3aS,6aR)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 50951290
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
CID 53009594
3,6,6-trimethyl-7H-1,2-benzoxazole-4,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole (CID 151348234) is 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole is Cc1noc(C)c1C1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole?
The InChIKey is OLXUYFDOZJHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7-9(8(2)16-13-7)10-14-11(3,4)12(5,6)15-10/h10H,1-6H3.
What are the key properties of 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole?
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole has a molecular weight of 225.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,2-oxazole is sourced from PubChem (CID 151348234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).