5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide

C29H26N4O3 — CID 22949320

IUPAC5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C(=O)CCc1ccc2ccccc2c1)[C@H](Cc1ccc2ccccc2c1)c1nc(C(N)=O)no1
InChIInChI=1S/C29H26N4O3/c1-33(26(34)15-12-19-10-13-21-6-2-4-8-23(21)16-19)25(29-31-28(27(30)35)32-36-29)18-20-11-14-22-7-3-5-9-24(22)17-20/h2-11,13-14,16-17,25H,12,15,18H2,1H3,(H2,30,35)/t25-/m1/s1
InChIKeyJZYHUBNTFSYVSK-RUZDIDTESA-N
MW478.55 g/mol
LogP4.85
Rot. Bonds8

About 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide

5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 22949320) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID22949320
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C(=O)CCc1ccc2ccccc2c1)[C@H](Cc1ccc2ccccc2c1)c1nc(C(N)=O)no1
InChIInChI=1S/C29H26N4O3/c1-33(26(34)15-12-19-10-13-21-6-2-4-8-23(21)16-19)25(29-31-28(27(30)35)32-36-29)18-20-11-14-22-7-3-5-9-24(22)17-20/h2-11,13-14,16-17,25H,12,15,18H2,1H3,(H2,30,35)/t25-/m1/s1
InChIKeyJZYHUBNTFSYVSK-RUZDIDTESA-N
XLogP4.85
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[carbamoyl(3-naphthalen-2-ylpropanoyl)amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 18318392
N-(1-aminopropan-2-yl)-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
CID 119584639
tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate
CID 22949427
N-methyl-3-naphthalen-2-yl-N-(1-phenylethyl)propanamide
CID 60521214
(2R)-N-carbamoyl-2-[methyl(3-naphthalen-2-ylpropanoyl)amino]-3-phenylpropanamide
CID 173291028
5-[1-[[2-[(4-amino-4-methylpent-2-enoyl)amino]-3-naphthalen-2-ylpropanoyl]-methylamino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 73008084
N-methyl-4-naphthalen-2-ylbutanehydrazide
CID 116845183
5-[(1R)-1-[[(2R)-2-[4,4-dimethylpent-2-enoyl(methyl)amino]-3-naphthalen-2-ylpropanoyl]-methylamino]-2-phenylethyl]-1,3,4-oxadiazole-2-carboxamide
CID 90896615
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide
CID 54197832

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide (CID 22949320) is 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide is CN(C(=O)CCc1ccc2ccccc2c1)[C@H](Cc1ccc2ccccc2c1)c1nc(C(N)=O)no1.
What is the InChIKey of 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JZYHUBNTFSYVSK-RUZDIDTESA-N. The full InChI is InChI=1S/C29H26N4O3/c1-33(26(34)15-12-19-10-13-21-6-2-4-8-23(21)16-19)25(29-31-28(27(30)35)32-36-29)18-20-11-14-22-7-3-5-9-24(22)17-20/h2-11,13-14,16-17,25H,12,15,18H2,1H3,(H2,30,35)/t25-/m1/s1.
What are the key properties of 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[methyl(3-naphthalen-2-ylpropanoyl)amino]-2-naphthalen-2-ylethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 22949320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).