4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole

C10H15F2NO — CID 170423990

IUPAC4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole
SMILESCCC(C)C(F)(F)c1c(C)noc1C
InChIInChI=1S/C10H15F2NO/c1-5-6(2)10(11,12)9-7(3)13-14-8(9)4/h6H,5H2,1-4H3
InChIKeyUOIDNHLDKLTOGQ-UHFFFAOYSA-N
MW203.23 g/mol
LogP3.43
Rot. Bonds3

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

4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 170423990) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole
PubChem CID170423990
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole
SMILESCCC(C)C(F)(F)c1c(C)noc1C
InChIInChI=1S/C10H15F2NO/c1-5-6(2)10(11,12)9-7(3)13-14-8(9)4/h6H,5H2,1-4H3
InChIKeyUOIDNHLDKLTOGQ-UHFFFAOYSA-N
XLogP3.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane
CID 170592665
3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole
CID 129201550
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 59882082
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine
CID 115888090
3,4,5-trimethyl-1,2-oxazole
CID 25375
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
CID 82406639
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole (CID 170423990) is 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole is CCC(C)C(F)(F)c1c(C)noc1C.
What is the InChIKey of 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is UOIDNHLDKLTOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-5-6(2)10(11,12)9-7(3)13-14-8(9)4/h6H,5H2,1-4H3.
What are the key properties of 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole?
4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 203.23 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 170423990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).