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

C18H19FN2O5 — CID 118536739

IUPAC5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOC2)noc1COCc1cccc(F)c1
InChIInChI=1S/C18H19FN2O5/c19-14-3-1-2-12(6-14)9-25-11-16-15(8-22)17(21-26-16)18(23)20-7-13-4-5-24-10-13/h1-3,6,8,13H,4-5,7,9-11H2,(H,20,23)
InChIKeyJKDMYYGIHCPWBX-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.11
Rot. Bonds8

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

5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536739) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID118536739
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOC2)noc1COCc1cccc(F)c1
InChIInChI=1S/C18H19FN2O5/c19-14-3-1-2-12(6-14)9-25-11-16-15(8-22)17(21-26-16)18(23)20-7-13-4-5-24-10-13/h1-3,6,8,13H,4-5,7,9-11H2,(H,20,23)
InChIKeyJKDMYYGIHCPWBX-UHFFFAOYSA-N
XLogP2.11
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 118536739) is 5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=Cc1c(C(=O)NCC2CCOC2)noc1COCc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JKDMYYGIHCPWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5/c19-14-3-1-2-12(6-14)9-25-11-16-15(8-22)17(21-26-16)18(23)20-7-13-4-5-24-10-13/h1-3,6,8,13H,4-5,7,9-11H2,(H,20,23).
What are the key properties of 5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxymethyl]-4-formyl-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).