N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

C26H27N5O2 — CID 44528369

IUPACN-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3cccc4cc[nH]c34)C2)no1
InChIInChI=1S/C26H27N5O2/c1-17-13-23(29-33-17)26(32)28-21-5-6-24-19(14-21)8-12-31(24)22-9-11-30(16-22)15-20-4-2-3-18-7-10-27-25(18)20/h2-7,10,13-14,22,27H,8-9,11-12,15-16H2,1H3,(H,28,32)
InChIKeyYCMRXZHEXJUPNL-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.35
Rot. Bonds5

About N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 44528369) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID44528369
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3cccc4cc[nH]c34)C2)no1
InChIInChI=1S/C26H27N5O2/c1-17-13-23(29-33-17)26(32)28-21-5-6-24-19(14-21)8-12-31(24)22-9-11-30(16-22)15-20-4-2-3-18-7-10-27-25(18)20/h2-7,10,13-14,22,27H,8-9,11-12,15-16H2,1H3,(H,28,32)
InChIKeyYCMRXZHEXJUPNL-UHFFFAOYSA-N
XLogP4.35
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 44528369) is N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3cccc4cc[nH]c34)C2)no1.
What is the InChIKey of N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YCMRXZHEXJUPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17-13-23(29-33-17)26(32)28-21-5-6-24-19(14-21)8-12-31(24)22-9-11-30(16-22)15-20-4-2-3-18-7-10-27-25(18)20/h2-7,10,13-14,22,27H,8-9,11-12,15-16H2,1H3,(H,28,32).
What are the key properties of N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44528369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).