2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

C18H20N4O3 — CID 56803237

IUPAC2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)no1
InChIInChI=1S/C18H20N4O3/c1-13-19-17(20-25-13)11-21-6-8-22(9-7-21)18(23)15-10-14-4-2-3-5-16(14)24-12-15/h2-5,10H,6-9,11-12H2,1H3
InChIKeyWHRVVVOUVHFRSS-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.50
Rot. Bonds3

About 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 56803237) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID56803237
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)no1
InChIInChI=1S/C18H20N4O3/c1-13-19-17(20-25-13)11-21-6-8-22(9-7-21)18(23)15-10-14-4-2-3-5-16(14)24-12-15/h2-5,10H,6-9,11-12H2,1H3
InChIKeyWHRVVVOUVHFRSS-UHFFFAOYSA-N
XLogP1.50
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 26810605
2H-chromen-3-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32903114
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 55395560
2H-chromen-3-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753378
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 119066090
2H-chromen-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 39968046
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119071153
2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 75538257
2-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 26816176
(4-chloro-3-fluorophenyl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 132971521
5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 91792457
(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 70737643

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (CID 56803237) is 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)no1.
What is the InChIKey of 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is WHRVVVOUVHFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-19-17(20-25-13)11-21-6-8-22(9-7-21)18(23)15-10-14-4-2-3-5-16(14)24-12-15/h2-5,10H,6-9,11-12H2,1H3.
What are the key properties of 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 340.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56803237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).