N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide

C26H27N5O6 — CID 118418360

IUPACN,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide
SMILESCc1noc(COc2ccc(O[C@@H]3CCN(c4ccc5c(c4)C(=O)N(CC(=O)N(C)C)C5)C3=O)cc2)n1
InChIInChI=1S/C26H27N5O6/c1-16-27-23(37-28-16)15-35-19-6-8-20(9-7-19)36-22-10-11-31(26(22)34)18-5-4-17-13-30(14-24(32)29(2)3)25(33)21(17)12-18/h4-9,12,22H,10-11,13-15H2,1-3H3/t22-/m1/s1
InChIKeyMBDFZAOTGNRSIL-JOCHJYFZSA-N
MW505.53 g/mol
LogP2.19
Rot. Bonds8

About N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide

N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide (PubChem CID 118418360) has the molecular formula C26H27N5O6 and a molecular weight of 505.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide
PubChem CID118418360
Molecular FormulaC26H27N5O6
Molecular Weight505.53 g/mol
Exact Mass505.20
IUPAC NameN,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide
SMILESCc1noc(COc2ccc(O[C@@H]3CCN(c4ccc5c(c4)C(=O)N(CC(=O)N(C)C)C5)C3=O)cc2)n1
InChIInChI=1S/C26H27N5O6/c1-16-27-23(37-28-16)15-35-19-6-8-20(9-7-19)36-22-10-11-31(26(22)34)18-5-4-17-13-30(14-24(32)29(2)3)25(33)21(17)12-18/h4-9,12,22H,10-11,13-15H2,1-3H3/t22-/m1/s1
InChIKeyMBDFZAOTGNRSIL-JOCHJYFZSA-N
XLogP2.19
TPSA118.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[4-(1,2,4-triazol-1-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135191081
N,N-dimethyl-2-[5-[(3R)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 118418459
N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 123393220
ethyl 3-[2-chloro-5-[(3R)-1-[2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1H-isoindol-5-yl]-2-oxopyrrolidin-3-yl]oxyphenyl]propanoate
CID 118418394
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 123440471
ethyl 2-[3-oxo-5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetate
CID 126483218
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetic acid
CID 118418381
2-[3-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
CID 118418329
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608
4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
CID 144936926
2-[5-[3-[4-(3-methylbutoxy)phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 135203504
1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one
CID 160523814

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide (CID 118418360) is N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide is Cc1noc(COc2ccc(O[C@@H]3CCN(c4ccc5c(c4)C(=O)N(CC(=O)N(C)C)C5)C3=O)cc2)n1.
What is the InChIKey of N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide?
The InChIKey is MBDFZAOTGNRSIL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N5O6/c1-16-27-23(37-28-16)15-35-19-6-8-20(9-7-19)36-22-10-11-31(26(22)34)18-5-4-17-13-30(14-24(32)29(2)3)25(33)21(17)12-18/h4-9,12,22H,10-11,13-15H2,1-3H3/t22-/m1/s1.
What are the key properties of N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide?
N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide has a molecular weight of 505.53 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 118418360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).