5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C19H21FN2O4 — CID 90326242

IUPAC5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1F
InChIInChI=1S/C19H21FN2O4/c20-16-6-2-1-4-14(16)5-3-7-17-15(11-23)18(22-26-17)19(24)21-10-13-8-9-25-12-13/h1-2,4,6,11,13H,3,5,7-10,12H2,(H,21,24)
InChIKeyNMHDUQDVGIBMOK-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.57
Rot. Bonds8

About 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90326242) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90326242
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1F
InChIInChI=1S/C19H21FN2O4/c20-16-6-2-1-4-14(16)5-3-7-17-15(11-23)18(22-26-17)19(24)21-10-13-8-9-25-12-13/h1-2,4,6,11,13H,3,5,7-10,12H2,(H,21,24)
InChIKeyNMHDUQDVGIBMOK-UHFFFAOYSA-N
XLogP2.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90326242) is 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1F.
What is the InChIKey of 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NMHDUQDVGIBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c20-16-6-2-1-4-14(16)5-3-7-17-15(11-23)18(22-26-17)19(24)21-10-13-8-9-25-12-13/h1-2,4,6,11,13H,3,5,7-10,12H2,(H,21,24).
What are the key properties of 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)propyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90326242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).