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

C10H16FNO — CID 155204136

IUPAC4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C(C)(C)CF)co1
InChIInChI=1S/C10H16FNO/c1-7(2)9-12-8(5-13-9)10(3,4)6-11/h5,7H,6H2,1-4H3
InChIKeyHGRYUPAGQHUMFM-UHFFFAOYSA-N
MW185.24 g/mol
LogP3.05
Rot. Bonds3

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

4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole (PubChem CID 155204136) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole
PubChem CID155204136
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C(C)(C)CF)co1
InChIInChI=1S/C10H16FNO/c1-7(2)9-12-8(5-13-9)10(3,4)6-11/h5,7H,6H2,1-4H3
InChIKeyHGRYUPAGQHUMFM-UHFFFAOYSA-N
XLogP3.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 53.05
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-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole (CID 155204136) is 4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(C(C)(C)CF)co1.
What is the InChIKey of 4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is HGRYUPAGQHUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7(2)9-12-8(5-13-9)10(3,4)6-11/h5,7H,6H2,1-4H3.
What are the key properties of 4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole?
4-(1-fluoro-2-methylpropan-2-yl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 185.24 g/mol, XLogP of 3.05, 3 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-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 155204136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).