N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide

C21H16N4O4 — CID 151715137

IUPACN-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide
SMILESO=C1C(=O)N(Cc2nc(-c3ccccc3)no2)c2ccc(NC(=O)C3CC3)cc21
InChIInChI=1S/C21H16N4O4/c26-18-15-10-14(22-20(27)13-6-7-13)8-9-16(15)25(21(18)28)11-17-23-19(24-29-17)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,22,27)
InChIKeyRHJXTXCBNJPMPB-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.81
Rot. Bonds5

About N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide

N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide (PubChem CID 151715137) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide
PubChem CID151715137
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC NameN-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide
SMILESO=C1C(=O)N(Cc2nc(-c3ccccc3)no2)c2ccc(NC(=O)C3CC3)cc21
InChIInChI=1S/C21H16N4O4/c26-18-15-10-14(22-20(27)13-6-7-13)8-9-16(15)25(21(18)28)11-17-23-19(24-29-17)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,22,27)
InChIKeyRHJXTXCBNJPMPB-UHFFFAOYSA-N
XLogP2.81
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide (CID 151715137) is N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide is O=C1C(=O)N(Cc2nc(-c3ccccc3)no2)c2ccc(NC(=O)C3CC3)cc21.
What is the InChIKey of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide?
The InChIKey is RHJXTXCBNJPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c26-18-15-10-14(22-20(27)13-6-7-13)8-9-16(15)25(21(18)28)11-17-23-19(24-29-17)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,22,27).
What are the key properties of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide?
N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide has a molecular weight of 388.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 151715137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).