4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide

C23H24N2O5 — CID 90326211

IUPAC4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOCC2)noc1COCc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O5/c26-13-20-21(15-29-14-17-5-6-18-3-1-2-4-19(18)11-17)30-25-22(20)23(27)24-12-16-7-9-28-10-8-16/h1-6,11,13,16H,7-10,12,14-15H2,(H,24,27)
InChIKeyIAMRLIUPLHQIDP-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.51
Rot. Bonds8

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

4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90326211) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90326211
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=Cc1c(C(=O)NCC2CCOCC2)noc1COCc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O5/c26-13-20-21(15-29-14-17-5-6-18-3-1-2-4-19(18)11-17)30-25-22(20)23(27)24-12-16-7-9-28-10-8-16/h1-6,11,13,16H,7-10,12,14-15H2,(H,24,27)
InChIKeyIAMRLIUPLHQIDP-UHFFFAOYSA-N
XLogP3.51
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide
CID 96563639
N-(oxan-4-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide
CID 76899929
5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325751
N-(tetrahydrofuran-3-ylmethyl)-5-(3-fluoro-2-naphthylmethoxymethyl)isoxazole-3-carboxamide
CID 90325965
N-(tetrahydrofuran-3-ylmethyl)-5-(2-naphthylmethoxymethyl)-4-fluoroisoxazole-3-carboxamide
CID 90326125
N-(tetrahydrofuran-3-ylmethyl)-5-(2-fluorobenzyloxymethyl)-4-formylisoxazole-3-carboxamide
CID 90326146
5-[(3-fluoronaphthalen-2-yl)-methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536593
5-[(1-fluoronaphthalen-2-yl)-methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536720
N-(tetrahydrofuran-3-ylmethyl)-5-(1-fluoro-2-naphthylmethoxymethyl)isoxazole-3-carboxamide
CID 118536721
N-(tetrahydrofuran-3-ylmethyl)-5-(3-fluorobenzyloxymethyl)-4-formylisoxazole-3-carboxamide
CID 118536739
4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536797
4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536799

Frequently Asked Questions

What is the IUPAC name of 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90326211) is 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=Cc1c(C(=O)NCC2CCOCC2)noc1COCc1ccc2ccccc2c1.
What is the InChIKey of 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IAMRLIUPLHQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c26-13-20-21(15-29-14-17-5-6-18-3-1-2-4-19(18)11-17)30-25-22(20)23(27)24-12-16-7-9-28-10-8-16/h1-6,11,13,16H,7-10,12,14-15H2,(H,24,27).
What are the key properties of 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90326211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).