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

C21H27N5O3 — CID 30663891

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)no1
InChIInChI=1S/C21H27N5O3/c1-15-11-19(24-29-15)23-21(28)14-26-9-7-25(8-10-26)13-20(27)22-18-6-5-16-3-2-4-17(16)12-18/h5-6,11-12H,2-4,7-10,13-14H2,1H3,(H,22,27)(H,23,24,28)
InChIKeyDCVSFGOENFVOKI-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.67
Rot. Bonds6

About 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

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 (PubChem CID 30663891) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30663891
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)no1
InChIInChI=1S/C21H27N5O3/c1-15-11-19(24-29-15)23-21(28)14-26-9-7-25(8-10-26)13-20(27)22-18-6-5-16-3-2-4-17(16)12-18/h5-6,11-12H,2-4,7-10,13-14H2,1H3,(H,22,27)(H,23,24,28)
InChIKeyDCVSFGOENFVOKI-UHFFFAOYSA-N
XLogP1.67
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655508
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 124758101
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81492316
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)no1.
What is the InChIKey of 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?
The InChIKey is DCVSFGOENFVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15-11-19(24-29-15)23-21(28)14-26-9-7-25(8-10-26)13-20(27)22-18-6-5-16-3-2-4-17(16)12-18/h5-6,11-12H,2-4,7-10,13-14H2,1H3,(H,22,27)(H,23,24,28).
What are the key properties of 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?
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 has a molecular weight of 397.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 30663891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).