4-(difluoromethyl)-5-ethyl-1,3-oxazole

C6H7F2NO — CID 167066192

IUPAC4-(difluoromethyl)-5-ethyl-1,3-oxazole
SMILESCCc1ocnc1C(F)F
InChIInChI=1S/C6H7F2NO/c1-2-4-5(6(7)8)9-3-10-4/h3,6H,2H2,1H3
InChIKeyVYBBLOSBXIOJRP-UHFFFAOYSA-N
MW147.12 g/mol
LogP2.17
Rot. Bonds2

About 4-(difluoromethyl)-5-ethyl-1,3-oxazole

4-(difluoromethyl)-5-ethyl-1,3-oxazole (PubChem CID 167066192) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-ethyl-1,3-oxazole
PubChem CID167066192
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name4-(difluoromethyl)-5-ethyl-1,3-oxazole
SMILESCCc1ocnc1C(F)F
InChIInChI=1S/C6H7F2NO/c1-2-4-5(6(7)8)9-3-10-4/h3,6H,2H2,1H3
InChIKeyVYBBLOSBXIOJRP-UHFFFAOYSA-N
XLogP2.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
4,5-Dimethyloxazole
CID 30214
Oxazole, 5-(2-chloroethyl)-4-methyl-
CID 120387
Oxazole, 4-methyl-5-propyl-
CID 214134
Oxazole, 4-ethyl-5-methyl
CID 529031
1-(4-Methyloxazol-5-yl)ethanone
CID 11029839
5-Ethyl-1,3-oxazole-4-carbonitrile
CID 170910241
Oxazole, 5-acetoxime-4-methyl-
CID 74051013
Oxazole, 5-(2-chloroethyl)-4-(trifluoromethyl)-
CID 20557837
4-Methyl-5-(trifluoromethyl)-1,3-oxazole
CID 54234857
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
5-Ethyl-2-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 68241587

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-ethyl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-ethyl-1,3-oxazole (CID 167066192) is 4-(difluoromethyl)-5-ethyl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-ethyl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-ethyl-1,3-oxazole is CCc1ocnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-ethyl-1,3-oxazole?
The InChIKey is VYBBLOSBXIOJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c1-2-4-5(6(7)8)9-3-10-4/h3,6H,2H2,1H3.
What are the key properties of 4-(difluoromethyl)-5-ethyl-1,3-oxazole?
4-(difluoromethyl)-5-ethyl-1,3-oxazole has a molecular weight of 147.12 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-ethyl-1,3-oxazole is sourced from PubChem (CID 167066192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).