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

C8H12FNO — CID 146378346

IUPAC4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole
SMILESCc1oc(F)nc1C(C)(C)C
InChIInChI=1S/C8H12FNO/c1-5-6(8(2,3)4)10-7(9)11-5/h1-4H3
InChIKeyCSKYMJVSLMZUDV-UHFFFAOYSA-N
MW157.19 g/mol
LogP2.42
Rot. Bonds

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

4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole (PubChem CID 146378346) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole
PubChem CID146378346
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole
SMILESCc1oc(F)nc1C(C)(C)C
InChIInChI=1S/C8H12FNO/c1-5-6(8(2,3)4)10-7(9)11-5/h1-4H3
InChIKeyCSKYMJVSLMZUDV-UHFFFAOYSA-N
XLogP2.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2,5-dimethyloxazole
CID 121694
4-Ethyl-5-methyl-2-(1-methylethyl)oxazole
CID 586689
4-Ethyl-5-methyl-2-propyloxazole
CID 580375
4-Ethyl-2-isobutyl-5-methyloxazole
CID 580607
2,4-Diethyl-5-methyloxazole
CID 579998
4,5-Diisopropyl-2-methyloxazole
CID 20770924
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
4-Tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 57709374
5-Tert-butyl-2-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 57709386
2,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole
CID 58428465
2-Methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 59459038
4-Ethyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 68381432

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole (CID 146378346) is 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole is Cc1oc(F)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole?
The InChIKey is CSKYMJVSLMZUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-5-6(8(2,3)4)10-7(9)11-5/h1-4H3.
What are the key properties of 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole?
4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole has a molecular weight of 157.19 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-5-methyl-1,3-oxazole is sourced from PubChem (CID 146378346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).