N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide

C21H25N5O3 — CID 139412640

IUPACN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn(CCOC)nc2C)no1
InChIInChI=1S/C21H25N5O3/c1-4-19-23-20(25-29-19)15-5-7-16-14(11-15)6-8-18(16)22-21(27)17-12-26(9-10-28-3)24-13(17)2/h5,7,11-12,18H,4,6,8-10H2,1-3H3,(H,22,27)/t18-/m1/s1
InChIKeyJJDVTQRAXYJDDL-GOSISDBHSA-N
MW395.46 g/mol
LogP2.87
Rot. Bonds7

About N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide (PubChem CID 139412640) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
PubChem CID139412640
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn(CCOC)nc2C)no1
InChIInChI=1S/C21H25N5O3/c1-4-19-23-20(25-29-19)15-5-7-16-14(11-15)6-8-18(16)22-21(27)17-12-26(9-10-28-3)24-13(17)2/h5,7,11-12,18H,4,6,8-10H2,1-3H3,(H,22,27)/t18-/m1/s1
InChIKeyJJDVTQRAXYJDDL-GOSISDBHSA-N
XLogP2.87
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412346
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 139413093
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139330786
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2-methylpyridine-4-carboxamide
CID 139412659
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
CID 139413050
2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone
CID 160521729
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
CID 139413045
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 139412539
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 139412569
N-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330986
2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412727

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide (CID 139412640) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn(CCOC)nc2C)no1.
What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is JJDVTQRAXYJDDL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-19-23-20(25-29-19)15-5-7-16-14(11-15)6-8-18(16)22-21(27)17-12-26(9-10-28-3)24-13(17)2/h5,7,11-12,18H,4,6,8-10H2,1-3H3,(H,22,27)/t18-/m1/s1.
What are the key properties of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139412640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).