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

C24H27N5O2 — CID 42856136

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C24H27N5O2/c30-24(26-20-8-7-18-4-3-5-19(18)14-20)22-17-31-23(27-22)16-29-12-10-28(11-13-29)15-21-6-1-2-9-25-21/h1-2,6-9,14,17H,3-5,10-13,15-16H2,(H,26,30)
InChIKeyKAMYGEVMGKKQRD-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.13
Rot. Bonds6

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

N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42856136) 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-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42856136
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C24H27N5O2/c30-24(26-20-8-7-18-4-3-5-19(18)14-20)22-17-31-23(27-22)16-29-12-10-28(11-13-29)15-21-6-1-2-9-25-21/h1-2,6-9,14,17H,3-5,10-13,15-16H2,(H,26,30)
InChIKeyKAMYGEVMGKKQRD-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-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856133
N-(4-chlorophenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856234
N-cyclohexyl-N-methyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856476
N-(3-fluorophenyl)-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051636
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42850775
N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45171333
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
CID 47032533
2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46055785
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850919
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986478

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-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-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 42856136) is N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-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-2-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-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KAMYGEVMGKKQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-24(26-20-8-7-18-4-3-5-19(18)14-20)22-17-31-23(27-22)16-29-12-10-28(11-13-29)15-21-6-1-2-9-25-21/h1-2,6-9,14,17H,3-5,10-13,15-16H2,(H,26,30).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(pyridin-2-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-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42856136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).