4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole

C13H14FNO — CID 58834721

IUPAC4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(C(C)C)c(F)c2)co1
InChIInChI=1S/C13H14FNO/c1-8(2)11-5-4-10(6-12(11)14)13-7-16-9(3)15-13/h4-8H,1-3H3
InChIKeyVWAYLDHKEWPJRQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.91
Rot. Bonds2

About 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole

4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole (PubChem CID 58834721) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole
PubChem CID58834721
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(C(C)C)c(F)c2)co1
InChIInChI=1S/C13H14FNO/c1-8(2)11-5-4-10(6-12(11)14)13-7-16-9(3)15-13/h4-8H,1-3H3
InChIKeyVWAYLDHKEWPJRQ-UHFFFAOYSA-N
XLogP3.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole (CID 58834721) is 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(C(C)C)c(F)c2)co1.
What is the InChIKey of 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole?
The InChIKey is VWAYLDHKEWPJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-8(2)11-5-4-10(6-12(11)14)13-7-16-9(3)15-13/h4-8H,1-3H3.
What are the key properties of 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole?
4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole has a molecular weight of 219.26 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 58834721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).