5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C26H25N5O4 — CID 18318392

IUPAC5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(C(Cc2ccccc2)N(C(N)=O)C(=O)CCc2ccc3ccccc3c2)n1
InChIInChI=1S/C26H25N5O4/c1-28-24(33)23-29-25(35-30-23)21(16-17-7-3-2-4-8-17)31(26(27)34)22(32)14-12-18-11-13-19-9-5-6-10-20(19)15-18/h2-11,13,15,21H,12,14,16H2,1H3,(H2,27,34)(H,28,33)
InChIKeyOWMBFCUIINGTIK-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.41
Rot. Bonds8

About 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 18318392) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID18318392
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(C(Cc2ccccc2)N(C(N)=O)C(=O)CCc2ccc3ccccc3c2)n1
InChIInChI=1S/C26H25N5O4/c1-28-24(33)23-29-25(35-30-23)21(16-17-7-3-2-4-8-17)31(26(27)34)22(32)14-12-18-11-13-19-9-5-6-10-20(19)15-18/h2-11,13,15,21H,12,14,16H2,1H3,(H2,27,34)(H,28,33)
InChIKeyOWMBFCUIINGTIK-UHFFFAOYSA-N
XLogP3.41
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 18318392) is 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(C(Cc2ccccc2)N(C(N)=O)C(=O)CCc2ccc3ccccc3c2)n1.
What is the InChIKey of 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OWMBFCUIINGTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-28-24(33)23-29-25(35-30-23)21(16-17-7-3-2-4-8-17)31(26(27)34)22(32)14-12-18-11-13-19-9-5-6-10-20(19)15-18/h2-11,13,15,21H,12,14,16H2,1H3,(H2,27,34)(H,28,33).
What are the key properties of 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 18318392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).