5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole

C9H13F2NO — CID 153449529

IUPAC5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C(F)F)c(C(C)(C)C)o1
InChIInChI=1S/C9H13F2NO/c1-5-12-6(8(10)11)7(13-5)9(2,3)4/h8H,1-4H3
InChIKeyPNBSLOLCPASOPY-UHFFFAOYSA-N
MW189.20 g/mol
LogP3.22
Rot. Bonds1

About 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole

5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole (PubChem CID 153449529) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole
PubChem CID153449529
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C(F)F)c(C(C)(C)C)o1
InChIInChI=1S/C9H13F2NO/c1-5-12-6(8(10)11)7(13-5)9(2,3)4/h8H,1-4H3
InChIKeyPNBSLOLCPASOPY-UHFFFAOYSA-N
XLogP3.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole (CID 153449529) is 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole is Cc1nc(C(F)F)c(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole?
The InChIKey is PNBSLOLCPASOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-5-12-6(8(10)11)7(13-5)9(2,3)4/h8H,1-4H3.
What are the key properties of 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole?
5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole has a molecular weight of 189.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(difluoromethyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 153449529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).