1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide

C23H20FN5O3 — CID 67516962

IUPAC1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1noc(-c2cc3cc(F)ccc3n2-c2ccc(CNC(=O)C3(C(N)=O)CC3)cc2)n1
InChIInChI=1S/C23H20FN5O3/c1-13-27-20(32-28-13)19-11-15-10-16(24)4-7-18(15)29(19)17-5-2-14(3-6-17)12-26-22(31)23(8-9-23)21(25)30/h2-7,10-11H,8-9,12H2,1H3,(H2,25,30)(H,26,31)
InChIKeyAIFWWQAEEBGIAA-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.01
Rot. Bonds6

About 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide

1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 67516962) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide
PubChem CID67516962
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1noc(-c2cc3cc(F)ccc3n2-c2ccc(CNC(=O)C3(C(N)=O)CC3)cc2)n1
InChIInChI=1S/C23H20FN5O3/c1-13-27-20(32-28-13)19-11-15-10-16(24)4-7-18(15)29(19)17-5-2-14(3-6-17)12-26-22(31)23(8-9-23)21(25)30/h2-7,10-11H,8-9,12H2,1H3,(H2,25,30)(H,26,31)
InChIKeyAIFWWQAEEBGIAA-UHFFFAOYSA-N
XLogP3.01
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide (CID 67516962) is 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide is Cc1noc(-c2cc3cc(F)ccc3n2-c2ccc(CNC(=O)C3(C(N)=O)CC3)cc2)n1.
What is the InChIKey of 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is AIFWWQAEEBGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-13-27-20(32-28-13)19-11-15-10-16(24)4-7-18(15)29(19)17-5-2-14(3-6-17)12-26-22(31)23(8-9-23)21(25)30/h2-7,10-11H,8-9,12H2,1H3,(H2,25,30)(H,26,31).
What are the key properties of 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide?
1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 67516962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).