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

C17H23FN2O3 — CID 45183566

IUPAC3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C17H23FN2O3/c1-12(2)22-9-3-8-19-17(21)16-11-15(20-23-16)10-13-4-6-14(18)7-5-13/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyNPVZACITAFHZLG-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.44
Rot. Bonds8

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

3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 45183566) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID45183566
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C17H23FN2O3/c1-12(2)22-9-3-8-19-17(21)16-11-15(20-23-16)10-13-4-6-14(18)7-5-13/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyNPVZACITAFHZLG-UHFFFAOYSA-N
XLogP2.44
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 45183566) is 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)OCCCNC(=O)C1CC(Cc2ccc(F)cc2)=NO1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NPVZACITAFHZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12(2)22-9-3-8-19-17(21)16-11-15(20-23-16)10-13-4-6-14(18)7-5-13/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45183566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).