5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole

C9H14FNO — CID 146379103

IUPAC5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole
SMILESCC(F)c1ncoc1C(C)(C)C
InChIInChI=1S/C9H14FNO/c1-6(10)7-8(9(2,3)4)12-5-11-7/h5-6H,1-4H3
InChIKeyZMAAWWGNCDNHKY-UHFFFAOYSA-N
MW171.22 g/mol
LogP3.00
Rot. Bonds1

About 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole

5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole (PubChem CID 146379103) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole
PubChem CID146379103
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole
SMILESCC(F)c1ncoc1C(C)(C)C
InChIInChI=1S/C9H14FNO/c1-6(10)7-8(9(2,3)4)12-5-11-7/h5-6H,1-4H3
InChIKeyZMAAWWGNCDNHKY-UHFFFAOYSA-N
XLogP3.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
Oxazole, 5-isobutyl-4-methyl-
CID 207289
Oxazole, 4-methyl-5-propyl-
CID 214134
Oxazole, 4-ethyl-5-methyl
CID 529031
(5-Tert-butyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
CID 145913438
4-n-Butyl-5-methyloxazole
CID 15176127
4,5-Dipropyloxazole
CID 19964978
5-Tert-butyloxazole-4-carboxaldehyde
CID 21031488
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
4-Methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole
CID 90397392
5-Propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 139342279
5-Tert-butyl-2-fluoro-4-(trifluoromethyl)-1,3-oxazole
CID 146377747

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole (CID 146379103) is 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole is CC(F)c1ncoc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole?
The InChIKey is ZMAAWWGNCDNHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6(10)7-8(9(2,3)4)12-5-11-7/h5-6H,1-4H3.
What are the key properties of 5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole?
5-tert-butyl-4-(1-fluoroethyl)-1,3-oxazole has a molecular weight of 171.22 g/mol, XLogP of 3.00, 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-(1-fluoroethyl)-1,3-oxazole is sourced from PubChem (CID 146379103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).