5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole

C8H15NO — CID 13165514

IUPAC5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C(C)(C)C)C1
InChIInChI=1S/C8H15NO/c1-6-5-7(10-9-6)8(2,3)4/h7H,5H2,1-4H3
InChIKeyUDKLIILOZHKXAC-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.20
Rot. Bonds

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

5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 13165514) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID13165514
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C(C)(C)C)C1
InChIInChI=1S/C8H15NO/c1-6-5-7(10-9-6)8(2,3)4/h7H,5H2,1-4H3
InChIKeyUDKLIILOZHKXAC-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Tert-butyl-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole
CID 154714703
(5S)-3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 167230063
3-Tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 23529034
5-Butyl-3-tert-butyl-4,5-dihydroisoxazole
CID 13296100
3-Tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 11019757
3,5-Ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole
CID 13083639
3-Tert-butyl-4,5-dihydro-1,2-oxazole
CID 13523872
3,5-Ditert-butyl-4,5-dihydro-1,2-oxazole
CID 18738408
5-Methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 20671522
3-tert-butyl-5,5-dimethyl-4H-1,2-oxazole
CID 21336451
4-Tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 57704305
(5R)-5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 58836471

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 13165514) is 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOC(C(C)(C)C)C1.
What is the InChIKey of 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is UDKLIILOZHKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-5-7(10-9-6)8(2,3)4/h7H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13165514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).