N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide

C17H19N7O3 — CID 139412715

IUPACN-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
SMILESCC(CO)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2nnn(C)n2)no1
InChIInChI=1S/C17H19N7O3/c1-9(8-25)17-19-14(22-27-17)11-3-5-12-10(7-11)4-6-13(12)18-16(26)15-20-23-24(2)21-15/h3,5,7,9,13,25H,4,6,8H2,1-2H3,(H,18,26)/t9?,13-/m1/s1
InChIKeyGIGIJUZOHJBTRG-WCRCJTMVSA-N
MW369.39 g/mol
LogP0.77
Rot. Bonds5

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

N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide (PubChem CID 139412715) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
PubChem CID139412715
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC NameN-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
SMILESCC(CO)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2nnn(C)n2)no1
InChIInChI=1S/C17H19N7O3/c1-9(8-25)17-19-14(22-27-17)11-3-5-12-10(7-11)4-6-13(12)18-16(26)15-20-23-24(2)21-15/h3,5,7,9,13,25H,4,6,8H2,1-2H3,(H,18,26)/t9?,13-/m1/s1
InChIKeyGIGIJUZOHJBTRG-WCRCJTMVSA-N
XLogP0.77
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
CID 139412831
1-(2-hydroxyethyl)-N-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412938
N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330915
[[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol
CID 155296553
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 139413072
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412730
tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139331126
N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 139412408
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide
CID 139412304
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-2-methylpropanamide
CID 139412191
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-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 170957620

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide (CID 139412715) is N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide is CC(CO)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2nnn(C)n2)no1.
What is the InChIKey of N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide?
The InChIKey is GIGIJUZOHJBTRG-WCRCJTMVSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-9(8-25)17-19-14(22-27-17)11-3-5-12-10(7-11)4-6-13(12)18-16(26)15-20-23-24(2)21-15/h3,5,7,9,13,25H,4,6,8H2,1-2H3,(H,18,26)/t9?,13-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide?
N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide is sourced from PubChem (CID 139412715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).