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

C7H9F2NO — CID 177327580

IUPAC4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C(F)F)co1
InChIInChI=1S/C7H9F2NO/c1-4(2)7-10-5(3-11-7)6(8)9/h3-4,6H,1-2H3
InChIKeyPXSIANWYWBQGGM-UHFFFAOYSA-N
MW161.15 g/mol
LogP2.74
Rot. Bonds2

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

4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 177327580) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole
PubChem CID177327580
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C(F)F)co1
InChIInChI=1S/C7H9F2NO/c1-4(2)7-10-5(3-11-7)6(8)9/h3-4,6H,1-2H3
InChIKeyPXSIANWYWBQGGM-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole (CID 177327580) is 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(C(F)F)co1.
What is the InChIKey of 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is PXSIANWYWBQGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c1-4(2)7-10-5(3-11-7)6(8)9/h3-4,6H,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole?
4-(difluoromethyl)-2-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)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 177327580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).