4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole

C8H12FNO — CID 155709524

IUPAC4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(C(C)(C)CF)co1
InChIInChI=1S/C8H12FNO/c1-6-10-7(4-11-6)8(2,3)5-9/h4H,5H2,1-3H3
InChIKeyPPHTWPVDICZICW-UHFFFAOYSA-N
MW157.19 g/mol
LogP2.23
Rot. Bonds2

About 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole

4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole (PubChem CID 155709524) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole
PubChem CID155709524
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(C(C)(C)CF)co1
InChIInChI=1S/C8H12FNO/c1-6-10-7(4-11-6)8(2,3)5-9/h4H,5H2,1-3H3
InChIKeyPPHTWPVDICZICW-UHFFFAOYSA-N
XLogP2.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole (CID 155709524) is 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole is Cc1nc(C(C)(C)CF)co1.
What is the InChIKey of 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole?
The InChIKey is PPHTWPVDICZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-6-10-7(4-11-6)8(2,3)5-9/h4H,5H2,1-3H3.
What are the key properties of 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole?
4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole has a molecular weight of 157.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-2-methylpropan-2-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 155709524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).