2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide

C18H24FN3O2 — CID 91834493

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCC(C)c1cc(CN(C)C(=O)CN(C)Cc2ccc(F)cc2)on1
InChIInChI=1S/C18H24FN3O2/c1-13(2)17-9-16(24-20-17)11-22(4)18(23)12-21(3)10-14-5-7-15(19)8-6-14/h5-9,13H,10-12H2,1-4H3
InChIKeyZYYOHGXBDWCCJR-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.03
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 91834493) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID91834493
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCC(C)c1cc(CN(C)C(=O)CN(C)Cc2ccc(F)cc2)on1
InChIInChI=1S/C18H24FN3O2/c1-13(2)17-9-16(24-20-17)11-22(4)18(23)12-21(3)10-14-5-7-15(19)8-6-14/h5-9,13H,10-12H2,1-4H3
InChIKeyZYYOHGXBDWCCJR-UHFFFAOYSA-N
XLogP3.03
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 91834493) is 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide is CC(C)c1cc(CN(C)C(=O)CN(C)Cc2ccc(F)cc2)on1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is ZYYOHGXBDWCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13(2)17-9-16(24-20-17)11-22(4)18(23)12-21(3)10-14-5-7-15(19)8-6-14/h5-9,13H,10-12H2,1-4H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91834493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).