N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide

C21H27N3O2 — CID 124758101

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1cc([C@@H]2CCCCN2CCC(=O)Nc2ccc3c(c2)CCC3)no1
InChIInChI=1S/C21H27N3O2/c1-15-13-19(23-26-15)20-7-2-3-11-24(20)12-10-21(25)22-18-9-8-16-5-4-6-17(16)14-18/h8-9,13-14,20H,2-7,10-12H2,1H3,(H,22,25)/t20-/m0/s1
InChIKeyXTJZETVHCRKKDL-FQEVSTJZSA-N
MW353.47 g/mol
LogP4.03
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 124758101) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
PubChem CID124758101
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1cc([C@@H]2CCCCN2CCC(=O)Nc2ccc3c(c2)CCC3)no1
InChIInChI=1S/C21H27N3O2/c1-15-13-19(23-26-15)20-7-2-3-11-24(20)12-10-21(25)22-18-9-8-16-5-4-6-17(16)14-18/h8-9,13-14,20H,2-7,10-12H2,1H3,(H,22,25)/t20-/m0/s1
InChIKeyXTJZETVHCRKKDL-FQEVSTJZSA-N
XLogP4.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 91842043
N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 35244187
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663891
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 91838658
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94002536
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62014172
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124754090
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 47011082

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide (CID 124758101) is N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide is Cc1cc([C@@H]2CCCCN2CCC(=O)Nc2ccc3c(c2)CCC3)no1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is XTJZETVHCRKKDL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-13-19(23-26-15)20-7-2-3-11-24(20)12-10-21(25)22-18-9-8-16-5-4-6-17(16)14-18/h8-9,13-14,20H,2-7,10-12H2,1H3,(H,22,25)/t20-/m0/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 124758101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).