N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

C26H30N4O4 — CID 44528361

IUPACN-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(CN2CCC(N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)c1OC
InChIInChI=1S/C26H30N4O4/c1-17-13-22(28-34-17)26(31)27-20-7-8-23-18(14-20)9-12-30(23)21-10-11-29(16-21)15-19-5-4-6-24(32-2)25(19)33-3/h4-8,13-14,21H,9-12,15-16H2,1-3H3,(H,27,31)
InChIKeyQCSOJRBGKOQXLE-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.89
Rot. Bonds7

About N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 44528361) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID44528361
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(CN2CCC(N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)c1OC
InChIInChI=1S/C26H30N4O4/c1-17-13-22(28-34-17)26(31)27-20-7-8-23-18(14-20)9-12-30(23)21-10-11-29(16-21)15-19-5-4-6-24(32-2)25(19)33-3/h4-8,13-14,21H,9-12,15-16H2,1-3H3,(H,27,31)
InChIKeyQCSOJRBGKOQXLE-UHFFFAOYSA-N
XLogP3.89
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 44528361) is N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cccc(CN2CCC(N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)c1OC.
What is the InChIKey of N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QCSOJRBGKOQXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17-13-22(28-34-17)26(31)27-20-7-8-23-18(14-20)9-12-30(23)21-10-11-29(16-21)15-19-5-4-6-24(32-2)25(19)33-3/h4-8,13-14,21H,9-12,15-16H2,1-3H3,(H,27,31).
What are the key properties of N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44528361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).