4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

C19H22N2O4 — CID 118536723

IUPAC4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1
InChIInChI=1S/C19H22N2O4/c22-12-16-17(8-4-7-14-5-2-1-3-6-14)25-21-18(16)19(23)20-11-15-9-10-24-13-15/h1-3,5-6,12,15H,4,7-11,13H2,(H,20,23)
InChIKeyVNLKTODJENODSB-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.43
Rot. Bonds8

About 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536723) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID118536723
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1
InChIInChI=1S/C19H22N2O4/c22-12-16-17(8-4-7-14-5-2-1-3-6-14)25-21-18(16)19(23)20-11-15-9-10-24-13-15/h1-3,5-6,12,15H,4,7-11,13H2,(H,20,23)
InChIKeyVNLKTODJENODSB-UHFFFAOYSA-N
XLogP2.43
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.43
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 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 118536723) is 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is O=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1.
What is the InChIKey of 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VNLKTODJENODSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-12-16-17(8-4-7-14-5-2-1-3-6-14)25-21-18(16)19(23)20-11-15-9-10-24-13-15/h1-3,5-6,12,15H,4,7-11,13H2,(H,20,23).
What are the key properties of 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).