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

C23H24N2O4 — CID 90325773

IUPAC4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O4/c26-14-20-21(29-25-22(20)23(27)24-13-17-10-11-28-15-17)7-3-4-16-8-9-18-5-1-2-6-19(18)12-16/h1-2,5-6,8-9,12,14,17H,3-4,7,10-11,13,15H2,(H,24,27)
InChIKeyRXFWHKKAXJPJCI-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.58
Rot. Bonds8

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

4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90325773) has the molecular formula C23H24N2O4 and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90325773
Molecular FormulaC23H24N2O4
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O4/c26-14-20-21(29-25-22(20)23(27)24-13-17-10-11-28-15-17)7-3-4-16-8-9-18-5-1-2-6-19(18)12-16/h1-2,5-6,8-9,12,14,17H,3-4,7,10-11,13,15H2,(H,24,27)
InChIKeyRXFWHKKAXJPJCI-UHFFFAOYSA-N
XLogP3.58
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326211
1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95762758
N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide
CID 118536806
5-[3-(4-chlorophenyl)propyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325749
N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
CID 90325844
5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201907
1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 157225884
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219
[3-formyl-5-(3-phenylpropyl)-1,2-oxazol-4-yl]methoxymethanedithioic acid;N-methyl-1-(oxolan-3-yl)methanamine
CID 144677046
5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325978
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243

Frequently Asked Questions

What is the IUPAC name of 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90325773) is 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccc2ccccc2c1.
What is the InChIKey of 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RXFWHKKAXJPJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-14-20-21(29-25-22(20)23(27)24-13-17-10-11-28-15-17)7-3-4-16-8-9-18-5-1-2-6-19(18)12-16/h1-2,5-6,8-9,12,14,17H,3-4,7,10-11,13,15H2,(H,24,27).
What are the key properties of 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).