N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

C24H26N4O3 — CID 44528362

IUPACN-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3ccc(O)cc3)C2)no1
InChIInChI=1S/C24H26N4O3/c1-16-12-22(26-31-16)24(30)25-19-4-7-23-18(13-19)8-11-28(23)20-9-10-27(15-20)14-17-2-5-21(29)6-3-17/h2-7,12-13,20,29H,8-11,14-15H2,1H3,(H,25,30)
InChIKeyQDTPDBRXORGIGM-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.58
Rot. Bonds5

About N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 44528362) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID44528362
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3ccc(O)cc3)C2)no1
InChIInChI=1S/C24H26N4O3/c1-16-12-22(26-31-16)24(30)25-19-4-7-23-18(13-19)8-11-28(23)20-9-10-27(15-20)14-17-2-5-21(29)6-3-17/h2-7,12-13,20,29H,8-11,14-15H2,1H3,(H,25,30)
InChIKeyQDTPDBRXORGIGM-UHFFFAOYSA-N
XLogP3.58
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 44528362) is N-[1-[1-[(4-hydroxyphenyl)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-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3ccc(O)cc3)C2)no1.
What is the InChIKey of N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QDTPDBRXORGIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-12-22(26-31-16)24(30)25-19-4-7-23-18(13-19)8-11-28(23)20-9-10-27(15-20)14-17-2-5-21(29)6-3-17/h2-7,12-13,20,29H,8-11,14-15H2,1H3,(H,25,30).
What are the key properties of N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44528362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).