4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole

C8H11F2NO — CID 169163494

IUPAC4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CC(F)F
InChIInChI=1S/C8H11F2NO/c1-5(2)8-6(3-7(9)10)11-4-12-8/h4-5,7H,3H2,1-2H3
InChIKeyOPNWHRCWSSXAKC-UHFFFAOYSA-N
MW175.18 g/mol
LogP2.61
Rot. Bonds3

About 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole

4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 169163494) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID169163494
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CC(F)F
InChIInChI=1S/C8H11F2NO/c1-5(2)8-6(3-7(9)10)11-4-12-8/h4-5,7H,3H2,1-2H3
InChIKeyOPNWHRCWSSXAKC-UHFFFAOYSA-N
XLogP2.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-5-propan-2-yl-1,3-oxazole
CID 171831430
4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
CID 159283548
2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144930
2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol
CID 110006114
1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 86789525
2-bromo-1-(5-propan-2-yl-1,3-oxazol-4-yl)ethanone
CID 126621241
6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998206
[5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol
CID 83151884
cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 171324101
(5-pentan-2-yl-1,3-oxazol-4-yl)methanamine
CID 79139142
1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 155974225
(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 97334343

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole (CID 169163494) is 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is OPNWHRCWSSXAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-5(2)8-6(3-7(9)10)11-4-12-8/h4-5,7H,3H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole?
4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 175.18 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 169163494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).