4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole

C11H19NO — CID 59539646

IUPAC4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CCC(C)(C)C
InChIInChI=1S/C11H19NO/c1-8-10(9(2)13-12-8)6-7-11(3,4)5/h6-7H2,1-5H3
InChIKeyPVHMOLZBBVQWLY-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.27
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole

4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 59539646) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
PubChem CID59539646
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CCC(C)(C)C
InChIInChI=1S/C11H19NO/c1-8-10(9(2)13-12-8)6-7-11(3,4)5/h6-7H2,1-5H3
InChIKeyPVHMOLZBBVQWLY-UHFFFAOYSA-N
XLogP3.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 21060320
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole chloride
CID 22500933
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 122240201
4-(2,2-dimethylbut-3-ynyl)-3,5-dimethyl-1,2-oxazole
CID 122240209
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide
CID 82155360
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470652
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole (CID 59539646) is 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CCC(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is PVHMOLZBBVQWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-10(9(2)13-12-8)6-7-11(3,4)5/h6-7H2,1-5H3.
What are the key properties of 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole?
4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 59539646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).