N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C24H27N5O2 — CID 42856133

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C24H27N5O2/c30-24(26-21-5-4-19-2-1-3-20(19)14-21)22-17-31-23(27-22)16-29-12-10-28(11-13-29)15-18-6-8-25-9-7-18/h4-9,14,17H,1-3,10-13,15-16H2,(H,26,30)
InChIKeyOTVGIFTZHRQDHV-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.13
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42856133) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42856133
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C24H27N5O2/c30-24(26-21-5-4-19-2-1-3-20(19)14-21)22-17-31-23(27-22)16-29-12-10-28(11-13-29)15-18-6-8-25-9-7-18/h4-9,14,17H,1-3,10-13,15-16H2,(H,26,30)
InChIKeyOTVGIFTZHRQDHV-UHFFFAOYSA-N
XLogP3.13
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856136
N-(4-chlorophenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856234
N-(3-fluorophenyl)-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051636
2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46051611
N-cyclohexyl-N-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856464
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986478
N-(3,4-dimethylphenyl)-2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051266
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986472
N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 17249562
N-(3-chloro-4-methylphenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986532
2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 42856161
2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 42859054

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 42856133) is N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CCN(Cc3ccncc3)CC2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OTVGIFTZHRQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-24(26-21-5-4-19-2-1-3-20(19)14-21)22-17-31-23(27-22)16-29-12-10-28(11-13-29)15-18-6-8-25-9-7-18/h4-9,14,17H,1-3,10-13,15-16H2,(H,26,30).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 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-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42856133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).