N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C20H14Cl2N4O5 — CID 163293723

IUPACN-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Oc2ccc3c(c2)C2(CCC2)C(=O)N3)c(Cl)c1)c1noc(=O)[nH]1
InChIInChI=1S/C20H14Cl2N4O5/c21-12-6-9(23-17(27)16-25-19(29)31-26-16)7-13(22)15(12)30-10-2-3-14-11(8-10)20(4-1-5-20)18(28)24-14/h2-3,6-8H,1,4-5H2,(H,23,27)(H,24,28)(H,25,26,29)
InChIKeyLSDMLOHKNQJURQ-UHFFFAOYSA-N
MW461.26 g/mol
LogP4.09
Rot. Bonds4

About N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 163293723) has the molecular formula C20H14Cl2N4O5 and a molecular weight of 461.26 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID163293723
Molecular FormulaC20H14Cl2N4O5
Molecular Weight461.26 g/mol
Exact Mass460.03
IUPAC NameN-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Oc2ccc3c(c2)C2(CCC2)C(=O)N3)c(Cl)c1)c1noc(=O)[nH]1
InChIInChI=1S/C20H14Cl2N4O5/c21-12-6-9(23-17(27)16-25-19(29)31-26-16)7-13(22)15(12)30-10-2-3-14-11(8-10)20(4-1-5-20)18(28)24-14/h2-3,6-8H,1,4-5H2,(H,23,27)(H,24,28)(H,25,26,29)
InChIKeyLSDMLOHKNQJURQ-UHFFFAOYSA-N
XLogP4.09
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.26
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 163293723) is N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is O=C(Nc1cc(Cl)c(Oc2ccc3c(c2)C2(CCC2)C(=O)N3)c(Cl)c1)c1noc(=O)[nH]1.
What is the InChIKey of N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LSDMLOHKNQJURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O5/c21-12-6-9(23-17(27)16-25-19(29)31-26-16)7-13(22)15(12)30-10-2-3-14-11(8-10)20(4-1-5-20)18(28)24-14/h2-3,6-8H,1,4-5H2,(H,23,27)(H,24,28)(H,25,26,29).
What are the key properties of N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 461.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 163293723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).