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

C17H15Cl2N5O6 — CID 146402640

IUPACN-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(CO)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
InChIInChI=1S/C17H15Cl2N5O6/c1-7(6-25)9-5-12(22-24(2)16(9)27)29-13-10(18)3-8(4-11(13)19)20-15(26)14-21-17(28)30-23-14/h3-5,7,25H,6H2,1-2H3,(H,20,26)(H,21,23,28)
InChIKeyZAZBBFKYRRLRQS-UHFFFAOYSA-N
MW456.24 g/mol
LogP1.90
Rot. Bonds6

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

N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146402640) has the molecular formula C17H15Cl2N5O6 and a molecular weight of 456.24 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID146402640
Molecular FormulaC17H15Cl2N5O6
Molecular Weight456.24 g/mol
Exact Mass455.04
IUPAC NameN-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(CO)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
InChIInChI=1S/C17H15Cl2N5O6/c1-7(6-25)9-5-12(22-24(2)16(9)27)29-13-10(18)3-8(4-11(13)19)20-15(26)14-21-17(28)30-23-14/h3-5,7,25H,6H2,1-2H3,(H,20,26)(H,21,23,28)
InChIKeyZAZBBFKYRRLRQS-UHFFFAOYSA-N
XLogP1.90
TPSA152.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.24
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 146402640) is N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CC(CO)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-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZAZBBFKYRRLRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O6/c1-7(6-25)9-5-12(22-24(2)16(9)27)29-13-10(18)3-8(4-11(13)19)20-15(26)14-21-17(28)30-23-14/h3-5,7,25H,6H2,1-2H3,(H,20,26)(H,21,23,28).
What are the key properties of N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 456.24 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[5-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazin-3-yl]oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146402640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).