5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole

C11H19NO — CID 89280941

IUPAC5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole
SMILESCc1c(C(C)C)noc1C(C)(C)C
InChIInChI=1S/C11H19NO/c1-7(2)9-8(3)10(13-12-9)11(4,5)6/h7H,1-6H3
InChIKeyVGQMJCONOYACDG-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.40
Rot. Bonds1

About 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole

5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole (PubChem CID 89280941) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole
PubChem CID89280941
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole
SMILESCc1c(C(C)C)noc1C(C)(C)C
InChIInChI=1S/C11H19NO/c1-7(2)9-8(3)10(13-12-9)11(4,5)6/h7H,1-6H3
InChIKeyVGQMJCONOYACDG-UHFFFAOYSA-N
XLogP3.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 59939672
5-tert-butyl-4-methyl-1,2-oxazole-3-carboxylate
CID 56924170
1-(4-methyl-5-propan-2-yl-1,2-oxazol-3-yl)ethanethiol
CID 123646007
4-bromo-5-tert-butyl-3-methyl-1,2-oxazole
CID 135170621
4-iodo-5-methyl-3-propan-2-yl-1,2-oxazole
CID 158552159
(Z)-2-[(1R)-1-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]ethyl]sulfanylbut-2-enal
CID 139376052
3,4,5-tritert-butyl-1,2-oxazole
CID 21040090
6,7-dimethyl-3,4-di(propan-2-yl)-[1,2]oxazolo[4,5-c]pyridine
CID 170416217
5-ethyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 121345564
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 167952517
bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole
CID 159748206
6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole
CID 170416195

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole (CID 89280941) is 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole is Cc1c(C(C)C)noc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole?
The InChIKey is VGQMJCONOYACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(2)9-8(3)10(13-12-9)11(4,5)6/h7H,1-6H3.
What are the key properties of 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole?
5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 89280941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).