5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C23H28N2O4 — CID 129201907

IUPAC5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCC(OCc1ccc2ccccc2c1)C1CC(C(=O)NCC2CCOC2)=NO1
InChIInChI=1S/C23H28N2O4/c1-2-21(28-15-16-7-8-18-5-3-4-6-19(18)11-16)22-12-20(25-29-22)23(26)24-13-17-9-10-27-14-17/h3-8,11,17,21-22H,2,9-10,12-15H2,1H3,(H,24,26)
InChIKeyIMTMGIGIPDOMSI-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.43
Rot. Bonds8

About 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 129201907) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID129201907
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCC(OCc1ccc2ccccc2c1)C1CC(C(=O)NCC2CCOC2)=NO1
InChIInChI=1S/C23H28N2O4/c1-2-21(28-15-16-7-8-18-5-3-4-6-19(18)11-16)22-12-20(25-29-22)23(26)24-13-17-9-10-27-14-17/h3-8,11,17,21-22H,2,9-10,12-15H2,1H3,(H,24,26)
InChIKeyIMTMGIGIPDOMSI-UHFFFAOYSA-N
XLogP3.43
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 129201907) is 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is CCC(OCc1ccc2ccccc2c1)C1CC(C(=O)NCC2CCOC2)=NO1.
What is the InChIKey of 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is IMTMGIGIPDOMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-21(28-15-16-7-8-18-5-3-4-6-19(18)11-16)22-12-20(25-29-22)23(26)24-13-17-9-10-27-14-17/h3-8,11,17,21-22H,2,9-10,12-15H2,1H3,(H,24,26).
What are the key properties of 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129201907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).