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

C21H15Cl2N3O5 — CID 165109368

IUPACN-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide
SMILESCc1c(Oc2c(Cl)cc(NC(=O)C3=NOC(=O)C3)cc2Cl)ccc2c1C1(CC1)C(=O)N2
InChIInChI=1S/C21H15Cl2N3O5/c1-9-15(3-2-13-17(9)21(4-5-21)20(29)25-13)30-18-11(22)6-10(7-12(18)23)24-19(28)14-8-16(27)31-26-14/h2-3,6-7H,4-5,8H2,1H3,(H,24,28)(H,25,29)
InChIKeyZROIXNMXZYNWOU-UHFFFAOYSA-N
MW460.27 g/mol
LogP4.32
Rot. Bonds4

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

N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide (PubChem CID 165109368) has the molecular formula C21H15Cl2N3O5 and a molecular weight of 460.27 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide
PubChem CID165109368
Molecular FormulaC21H15Cl2N3O5
Molecular Weight460.27 g/mol
Exact Mass459.04
IUPAC NameN-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide
SMILESCc1c(Oc2c(Cl)cc(NC(=O)C3=NOC(=O)C3)cc2Cl)ccc2c1C1(CC1)C(=O)N2
InChIInChI=1S/C21H15Cl2N3O5/c1-9-15(3-2-13-17(9)21(4-5-21)20(29)25-13)30-18-11(22)6-10(7-12(18)23)24-19(28)14-8-16(27)31-26-14/h2-3,6-7H,4-5,8H2,1H3,(H,24,28)(H,25,29)
InChIKeyZROIXNMXZYNWOU-UHFFFAOYSA-N
XLogP4.32
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.27
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide (CID 165109368) is N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide is Cc1c(Oc2c(Cl)cc(NC(=O)C3=NOC(=O)C3)cc2Cl)ccc2c1C1(CC1)C(=O)N2.
What is the InChIKey of N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide?
The InChIKey is ZROIXNMXZYNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O5/c1-9-15(3-2-13-17(9)21(4-5-21)20(29)25-13)30-18-11(22)6-10(7-12(18)23)24-19(28)14-8-16(27)31-26-14/h2-3,6-7H,4-5,8H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide?
N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide has a molecular weight of 460.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(4-methyl-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)oxyphenyl]-5-oxo-4H-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 165109368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).