N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide

C17H15F2N5O2 — CID 139412848

IUPACN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NC1CCc2cc(-c3noc(C(F)F)n3)ccc21
InChIInChI=1S/C17H15F2N5O2/c1-24-8-20-7-13(24)16(25)21-12-5-3-9-6-10(2-4-11(9)12)15-22-17(14(18)19)26-23-15/h2,4,6-8,12,14H,3,5H2,1H3,(H,21,25)
InChIKeyIMJBYDBGSVJYMB-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.83
Rot. Bonds4

About N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide

N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide (PubChem CID 139412848) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide
PubChem CID139412848
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NC1CCc2cc(-c3noc(C(F)F)n3)ccc21
InChIInChI=1S/C17H15F2N5O2/c1-24-8-20-7-13(24)16(25)21-12-5-3-9-6-10(2-4-11(9)12)15-22-17(14(18)19)26-23-15/h2,4,6-8,12,14H,3,5H2,1H3,(H,21,25)
InChIKeyIMJBYDBGSVJYMB-UHFFFAOYSA-N
XLogP2.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide (CID 139412848) is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NC1CCc2cc(-c3noc(C(F)F)n3)ccc21.
What is the InChIKey of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide?
The InChIKey is IMJBYDBGSVJYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-24-8-20-7-13(24)16(25)21-12-5-3-9-6-10(2-4-11(9)12)15-22-17(14(18)19)26-23-15/h2,4,6-8,12,14H,3,5H2,1H3,(H,21,25).
What are the key properties of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide?
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide has a molecular weight of 359.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 139412848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).