[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone

C19H18FNO2 — CID 66635808

IUPAC[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2F)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C19H18FNO2/c1-12-10-13(17(22)15-6-4-5-7-16(15)20)8-9-14(12)18-21-19(2,3)11-23-18/h4-10H,11H2,1-3H3
InChIKeyGTIKQNLDAIFYKE-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.92
Rot. Bonds3

About [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone

[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone (PubChem CID 66635808) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone
PubChem CID66635808
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2F)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C19H18FNO2/c1-12-10-13(17(22)15-6-4-5-7-16(15)20)8-9-14(12)18-21-19(2,3)11-23-18/h4-10H,11H2,1-3H3
InChIKeyGTIKQNLDAIFYKE-UHFFFAOYSA-N
XLogP3.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone (CID 66635808) is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone is Cc1cc(C(=O)c2ccccc2F)ccc1C1=NC(C)(C)CO1.
What is the InChIKey of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone?
The InChIKey is GTIKQNLDAIFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-12-10-13(17(22)15-6-4-5-7-16(15)20)8-9-14(12)18-21-19(2,3)11-23-18/h4-10H,11H2,1-3H3.
What are the key properties of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone?
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone has a molecular weight of 311.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 66635808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).