3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H23FN2O3 — CID 118756314

IUPAC3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCCN(C(=O)C1CC(Cc2cccc(F)c2)=NO1)C(C)C
InChIInChI=1S/C17H23FN2O3/c1-12(2)20(7-8-22-3)17(21)16-11-15(19-23-16)10-13-5-4-6-14(18)9-13/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyXPERYJYEKOUCKN-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.40
Rot. Bonds7

About 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 118756314) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID118756314
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCCN(C(=O)C1CC(Cc2cccc(F)c2)=NO1)C(C)C
InChIInChI=1S/C17H23FN2O3/c1-12(2)20(7-8-22-3)17(21)16-11-15(19-23-16)10-13-5-4-6-14(18)9-13/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyXPERYJYEKOUCKN-UHFFFAOYSA-N
XLogP2.40
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 118756314) is 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is COCCN(C(=O)C1CC(Cc2cccc(F)c2)=NO1)C(C)C.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XPERYJYEKOUCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12(2)20(7-8-22-3)17(21)16-11-15(19-23-16)10-13-5-4-6-14(18)9-13/h4-6,9,12,16H,7-8,10-11H2,1-3H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118756314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).