5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one

C20H23N5O3 — CID 72868473

IUPAC5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(Cc2noc(C3CCCO3)n2)c(=O)c1
InChIInChI=1S/C20H23N5O3/c1-24(10-9-15-6-3-2-4-7-15)16-12-19(26)25(21-13-16)14-18-22-20(28-23-18)17-8-5-11-27-17/h2-4,6-7,12-13,17H,5,8-11,14H2,1H3
InChIKeyRWHWXPUSCTYJQX-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.20
Rot. Bonds7

About 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one

5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one (PubChem CID 72868473) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one
PubChem CID72868473
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(Cc2noc(C3CCCO3)n2)c(=O)c1
InChIInChI=1S/C20H23N5O3/c1-24(10-9-15-6-3-2-4-7-15)16-12-19(26)25(21-13-16)14-18-22-20(28-23-18)17-8-5-11-27-17/h2-4,6-7,12-13,17H,5,8-11,14H2,1H3
InChIKeyRWHWXPUSCTYJQX-UHFFFAOYSA-N
XLogP2.20
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
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5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 56885157
5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one
CID 72879270
5-[methyl(2-phenylethyl)amino]-2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridazin-3-one
CID 97284120
2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide
CID 45173924
N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 56887820
1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 97198798
5-(oxolan-2-yl)-3-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 70765799
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
CID 97188640
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one (CID 72868473) is 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one is CN(CCc1ccccc1)c1cnn(Cc2noc(C3CCCO3)n2)c(=O)c1.
What is the InChIKey of 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one?
The InChIKey is RWHWXPUSCTYJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24(10-9-15-6-3-2-4-7-15)16-12-19(26)25(21-13-16)14-18-22-20(28-23-18)17-8-5-11-27-17/h2-4,6-7,12-13,17H,5,8-11,14H2,1H3.
What are the key properties of 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one?
5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one has a molecular weight of 381.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 72868473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).