N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide

C35H34N4O4 — CID 177345113

IUPACN-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2cc(C(=O)N3C[C@H](O)C[C@@H]3c3nc(CCCc4ccccc4)no3)ccc2c1
InChIInChI=1S/C35H34N4O4/c1-38(22-25-11-6-3-7-12-25)34(41)28-17-15-27-20-29(18-16-26(27)19-28)35(42)39-23-30(40)21-31(39)33-36-32(37-43-33)14-8-13-24-9-4-2-5-10-24/h2-7,9-12,15-20,30-31,40H,8,13-14,21-23H2,1H3/t30-,31-/m1/s1
InChIKeySHURETKCNSFOPB-FIRIVFDPSA-N
MW574.68 g/mol
LogP5.62
Rot. Bonds9

About N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide

N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 177345113) has the molecular formula C35H34N4O4 and a molecular weight of 574.68 g/mol. Its IUPAC name is N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide
PubChem CID177345113
Molecular FormulaC35H34N4O4
Molecular Weight574.68 g/mol
Exact Mass574.26
IUPAC NameN-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2cc(C(=O)N3C[C@H](O)C[C@@H]3c3nc(CCCc4ccccc4)no3)ccc2c1
InChIInChI=1S/C35H34N4O4/c1-38(22-25-11-6-3-7-12-25)34(41)28-17-15-27-20-29(18-16-26(27)19-28)35(42)39-23-30(40)21-31(39)33-36-32(37-43-33)14-8-13-24-9-4-2-5-10-24/h2-7,9-12,15-20,30-31,40H,8,13-14,21-23H2,1H3/t30-,31-/m1/s1
InChIKeySHURETKCNSFOPB-FIRIVFDPSA-N
XLogP5.62
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide with MolForge

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Related Compounds

4-[(2S,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methyl-N-(2-phenylethyl)benzamide
CID 177345116
[6-[(2S,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]naphthalen-2-yl]-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 177345130
1-[(2R,4S)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 128994638
(3R,5S)-1-benzylsulfonyl-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 166545158
[6-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]naphthalen-2-yl]-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 177345083
[2-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]spiro[3.3]heptan-6-yl]-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 177345027
1-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 166545183
[4-[(6S)-6-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-5-azaspiro[2.4]heptane-5-carbonyl]cyclohexyl]-[(6S)-6-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-5-azaspiro[2.4]heptan-5-yl]methanone
CID 177345064
1-[4-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 74506963
5-[4-(cyclobutylmethyl)-1-methylsulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 166545147
2-methylpropyl (2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 166545124
5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-phenylpropyl)pyrrolidin-3-ol
CID 74506781

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide (CID 177345113) is N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2cc(C(=O)N3C[C@H](O)C[C@@H]3c3nc(CCCc4ccccc4)no3)ccc2c1.
What is the InChIKey of N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is SHURETKCNSFOPB-FIRIVFDPSA-N. The full InChI is InChI=1S/C35H34N4O4/c1-38(22-25-11-6-3-7-12-25)34(41)28-17-15-27-20-29(18-16-26(27)19-28)35(42)39-23-30(40)21-31(39)33-36-32(37-43-33)14-8-13-24-9-4-2-5-10-24/h2-7,9-12,15-20,30-31,40H,8,13-14,21-23H2,1H3/t30-,31-/m1/s1.
What are the key properties of N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide?
N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 574.68 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(2R,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 177345113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).