2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole

C7H9ClFNO — CID 146378622

IUPAC2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole
SMILESCC(C)(C)c1nc(F)c(Cl)o1
InChIInChI=1S/C7H9ClFNO/c1-7(2,3)6-10-5(9)4(8)11-6/h1-3H3
InChIKeyVCGJFANFEUQPJS-UHFFFAOYSA-N
MW177.61 g/mol
LogP2.76
Rot. Bonds

About 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole

2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole (PubChem CID 146378622) has the molecular formula C7H9ClFNO and a molecular weight of 177.61 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole
PubChem CID146378622
Molecular FormulaC7H9ClFNO
Molecular Weight177.61 g/mol
Exact Mass177.04
IUPAC Name2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole
SMILESCC(C)(C)c1nc(F)c(Cl)o1
InChIInChI=1S/C7H9ClFNO/c1-7(2,3)6-10-5(9)4(8)11-6/h1-3H3
InChIKeyVCGJFANFEUQPJS-UHFFFAOYSA-N
XLogP2.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-chloro-1,3-oxazole-4-carbonitrile
CID 137347408
2,6-ditert-butyl-4-fluoro-1,3-benzoxazole
CID 134411036
2-tert-butyl-7-chloro-1,3-benzoxazole
CID 119084711
2-tert-butyl-6-chloro-7-(2-fluoropropan-2-ylsulfonyl)-1,3-benzoxazole
CID 118540377
7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole
CID 82095551
2-tert-butyl-6-chloro-7-(2,2,2-trifluoroethylsulfonyl)-1,3-benzoxazole
CID 118540673
2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole
CID 54451182
2-tert-butyl-6-chloro-5-methoxy-1,3-benzoxazole
CID 157153349
2-tert-butyl-4-iodo-5-methyl-1,3-oxazole
CID 146379675
CID 159015287
CID 159015287
2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
CID 79033233
2-(2-tert-butyl-5-chloro-1,3-oxazol-4-yl)ethyl 4-methylbenzenesulfonate
CID 142690277

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole (CID 146378622) is 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole is CC(C)(C)c1nc(F)c(Cl)o1.
What is the InChIKey of 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole?
The InChIKey is VCGJFANFEUQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFNO/c1-7(2,3)6-10-5(9)4(8)11-6/h1-3H3.
What are the key properties of 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole?
2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole has a molecular weight of 177.61 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole is sourced from PubChem (CID 146378622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).