2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide

C18H24FN3O2 — CID 72838237

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(C)Cc1cc(CNC(=O)C(c2ccccc2F)N(C)C)on1
InChIInChI=1S/C18H24FN3O2/c1-12(2)9-13-10-14(24-21-13)11-20-18(23)17(22(3)4)15-7-5-6-8-16(15)19/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,23)
InChIKeyNWKNKTJRMSKLTA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.93
Rot. Bonds7

About 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide

2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 72838237) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID72838237
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(C)Cc1cc(CNC(=O)C(c2ccccc2F)N(C)C)on1
InChIInChI=1S/C18H24FN3O2/c1-12(2)9-13-10-14(24-21-13)11-20-18(23)17(22(3)4)15-7-5-6-8-16(15)19/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,23)
InChIKeyNWKNKTJRMSKLTA-UHFFFAOYSA-N
XLogP2.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 72838237) is 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide is CC(C)Cc1cc(CNC(=O)C(c2ccccc2F)N(C)C)on1.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is NWKNKTJRMSKLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12(2)9-13-10-14(24-21-13)11-20-18(23)17(22(3)4)15-7-5-6-8-16(15)19/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide?
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 72838237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).