2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide

C19H19N5O3 — CID 139412771

IUPAC2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H]1CCc2cc(-c3noc(C4CCO4)n3)ccc21
InChIInChI=1S/C19H19N5O3/c1-24-15(6-8-20-24)18(25)21-14-5-3-11-10-12(2-4-13(11)14)17-22-19(27-23-17)16-7-9-26-16/h2,4,6,8,10,14,16H,3,5,7,9H2,1H3,(H,21,25)/t14-,16?/m1/s1
InChIKeyIMWZZAKBLJWCCY-IURRXHLWSA-N
MW365.39 g/mol
LogP2.35
Rot. Bonds4

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

2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide (PubChem CID 139412771) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
PubChem CID139412771
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H]1CCc2cc(-c3noc(C4CCO4)n3)ccc21
InChIInChI=1S/C19H19N5O3/c1-24-15(6-8-20-24)18(25)21-14-5-3-11-10-12(2-4-13(11)14)17-22-19(27-23-17)16-7-9-26-16/h2,4,6,8,10,14,16H,3,5,7,9H2,1H3,(H,21,25)/t14-,16?/m1/s1
InChIKeyIMWZZAKBLJWCCY-IURRXHLWSA-N
XLogP2.35
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide (CID 139412771) is 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@@H]1CCc2cc(-c3noc(C4CCO4)n3)ccc21.
What is the InChIKey of 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The InChIKey is IMWZZAKBLJWCCY-IURRXHLWSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-24-15(6-8-20-24)18(25)21-14-5-3-11-10-12(2-4-13(11)14)17-22-19(27-23-17)16-7-9-26-16/h2,4,6,8,10,14,16H,3,5,7,9H2,1H3,(H,21,25)/t14-,16?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-5-[5-(oxetan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 139412771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).