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

C7H9F2NO — CID 154623357

IUPAC4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1C(F)F
InChIInChI=1S/C7H9F2NO/c1-4(2)6-5(7(8)9)10-3-11-6/h3-4,7H,1-2H3
InChIKeyDZECZCAESUBHBE-UHFFFAOYSA-N
MW161.15 g/mol
LogP2.74
Rot. Bonds2

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

4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 154623357) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID154623357
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1C(F)F
InChIInChI=1S/C7H9F2NO/c1-4(2)6-5(7(8)9)10-3-11-6/h3-4,7H,1-2H3
InChIKeyDZECZCAESUBHBE-UHFFFAOYSA-N
XLogP2.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
Oxazole, 5-(2-chloroethyl)-4-methyl-
CID 120387
Oxazole, 5-isobutyl-4-methyl-
CID 207289
Oxazole, 4-methyl-5-propyl-
CID 214134
Oxazole, 4-ethyl-5-methyl
CID 529031
5-Ethyl-1,3-oxazole-4-carbonitrile
CID 170910241
Oxazole, 5-acetoxime-4-methyl-
CID 74051013
4-(Chloromethyl)-5-(propan-2-yl)-1,3-oxazole
CID 71683235
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
2,5-Di(propan-2-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 58428484

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole (CID 154623357) is 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is DZECZCAESUBHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c1-4(2)6-5(7(8)9)10-3-11-6/h3-4,7H,1-2H3.
What are the key properties of 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole?
4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 161.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 154623357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).