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

C24H23N5O5 — CID 118418459

IUPACN,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
SMILESCN(C)C(=O)CN1Cc2ccc(N3CC[C@@H](Oc4ccc(-c5nnco5)cc4)C3=O)cc2C1=O
InChIInChI=1S/C24H23N5O5/c1-27(2)21(30)13-28-12-16-3-6-17(11-19(16)23(28)31)29-10-9-20(24(29)32)34-18-7-4-15(5-8-18)22-26-25-14-33-22/h3-8,11,14,20H,9-10,12-13H2,1-2H3/t20-/m1/s1
InChIKeyRPZRAYDLQWQYLL-HXUWFJFHSA-N
MW461.48 g/mol
LogP1.96
Rot. Bonds6

About 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

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 (PubChem CID 118418459) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID118418459
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC NameN,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
SMILESCN(C)C(=O)CN1Cc2ccc(N3CC[C@@H](Oc4ccc(-c5nnco5)cc4)C3=O)cc2C1=O
InChIInChI=1S/C24H23N5O5/c1-27(2)21(30)13-28-12-16-3-6-17(11-19(16)23(28)31)29-10-9-20(24(29)32)34-18-7-4-15(5-8-18)22-26-25-14-33-22/h3-8,11,14,20H,9-10,12-13H2,1-2H3/t20-/m1/s1
InChIKeyRPZRAYDLQWQYLL-HXUWFJFHSA-N
XLogP1.96
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135190935
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
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
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetic acid
CID 118418381
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
(3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one
CID 96527278
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
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-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)CN1Cc2ccc(N3CC[C@@H](Oc4ccc(-c5nnco5)cc4)C3=O)cc2C1=O.
What is the InChIKey of 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?
The InChIKey is RPZRAYDLQWQYLL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-27(2)21(30)13-28-12-16-3-6-17(11-19(16)23(28)31)29-10-9-20(24(29)32)34-18-7-4-15(5-8-18)22-26-25-14-33-22/h3-8,11,14,20H,9-10,12-13H2,1-2H3/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 461.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118418459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).