N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C17H15Cl2N5O5 — CID 146402726

IUPACN-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
InChIInChI=1S/C17H15Cl2N5O5/c1-7(2)9-6-12(22-24(3)16(9)26)28-13-10(18)4-8(5-11(13)19)20-15(25)14-21-17(27)29-23-14/h4-7H,1-3H3,(H,20,25)(H,21,23,27)
InChIKeyWFIWVDVCNWOMQV-UHFFFAOYSA-N
MW440.24 g/mol
LogP2.93
Rot. Bonds5

About N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146402726) has the molecular formula C17H15Cl2N5O5 and a molecular weight of 440.24 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID146402726
Molecular FormulaC17H15Cl2N5O5
Molecular Weight440.24 g/mol
Exact Mass439.05
IUPAC NameN-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
InChIInChI=1S/C17H15Cl2N5O5/c1-7(2)9-6-12(22-24(3)16(9)26)28-13-10(18)4-8(5-11(13)19)20-15(25)14-21-17(27)29-23-14/h4-7H,1-3H3,(H,20,25)(H,21,23,27)
InChIKeyWFIWVDVCNWOMQV-UHFFFAOYSA-N
XLogP2.93
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 146402726) is N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CC(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O.
What is the InChIKey of N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WFIWVDVCNWOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O5/c1-7(2)9-6-12(22-24(3)16(9)26)28-13-10(18)4-8(5-11(13)19)20-15(25)14-21-17(27)29-23-14/h4-7H,1-3H3,(H,20,25)(H,21,23,27).
What are the key properties of N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 440.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146402726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).