3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one

C17H17Cl2N5O3 — CID 146402657

IUPAC3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1cc(Cc2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C17H17Cl2N5O3/c1-8(2)11-3-10(22-23-16(11)25)4-12-13(18)5-9(6-14(12)19)20-7-15-21-17(26)27-24-15/h3,5-6,8,20H,4,7H2,1-2H3,(H,23,25)(H,21,24,26)
InChIKeyXJHKIEMLHCQJMW-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.08
Rot. Bonds6

About 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one

3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 146402657) has the molecular formula C17H17Cl2N5O3 and a molecular weight of 410.26 g/mol. Its IUPAC name is 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID146402657
Molecular FormulaC17H17Cl2N5O3
Molecular Weight410.26 g/mol
Exact Mass409.07
IUPAC Name3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1cc(Cc2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C17H17Cl2N5O3/c1-8(2)11-3-10(22-23-16(11)25)4-12-13(18)5-9(6-14(12)19)20-7-15-21-17(26)27-24-15/h3,5-6,8,20H,4,7H2,1-2H3,(H,23,25)(H,21,24,26)
InChIKeyXJHKIEMLHCQJMW-UHFFFAOYSA-N
XLogP3.08
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
CID 146402661
3-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]propanoic acid
CID 155302076
methyl 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]acetate
CID 59834440
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 15981240
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-3,5-dioxo-1,2,4-triazinane-6-carbonitrile
CID 121380434
[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 146402586
butyl N-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-3,5-dioxo-1,2,4-triazin-6-yl]carbamate
CID 175697464
3-[[3,5-dichloro-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one
CID 146402589
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[(2Z)-2-cyano-2-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]hydrazinylidene]acetyl]carbamate
CID 172942175
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]-3,5-dioxo-1,2,4-triazinane-6-carbonitrile;ethyl 4-cyano-4-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]hydrazinyl]-3-oxobutanoate
CID 158870052
6-[3,5-dichloro-4-[(4-methyl-5-oxo-6-propan-2-ylpyrazin-2-yl)methyl]phenyl]-2H-1,2,4-triazine-3,5-dione
CID 176729236
5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one
CID 175506024

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one (CID 146402657) is 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one is CC(C)c1cc(Cc2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)n[nH]c1=O.
What is the InChIKey of 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XJHKIEMLHCQJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O3/c1-8(2)11-3-10(22-23-16(11)25)4-12-13(18)5-9(6-14(12)19)20-7-15-21-17(26)27-24-15/h3,5-6,8,20H,4,7H2,1-2H3,(H,23,25)(H,21,24,26).
What are the key properties of 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one?
3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 410.26 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146402657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).