2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole

C15H10N4O2S — CID 4880151

IUPAC2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1csc(-c2nnc(COc3nncc4ccccc34)o2)c1
InChIInChI=1S/C15H10N4O2S/c1-2-5-11-10(4-1)8-16-18-14(11)20-9-13-17-19-15(21-13)12-6-3-7-22-12/h1-8H,9H2
InChIKeyXBIQPAGPJOJZQH-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.32
Rot. Bonds4

About 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole

2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 4880151) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID4880151
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1csc(-c2nnc(COc3nncc4ccccc34)o2)c1
InChIInChI=1S/C15H10N4O2S/c1-2-5-11-10(4-1)8-16-18-14(11)20-9-13-17-19-15(21-13)12-6-3-7-22-12/h1-8H,9H2
InChIKeyXBIQPAGPJOJZQH-UHFFFAOYSA-N
XLogP3.32
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butyl-5-(phthalazin-1-yloxymethyl)-1,3,4-oxadiazole
CID 53499385
N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine
CID 4827439
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
CID 75390973
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile
CID 75431420
2-(benzotriazol-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 7668650
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate
CID 2651720
8-morpholin-4-yl-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline
CID 4789312
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 4786816
2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 6011073
1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 17443233

Frequently Asked Questions

What is the IUPAC name of 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 4880151) is 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole is c1csc(-c2nnc(COc3nncc4ccccc34)o2)c1.
What is the InChIKey of 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is XBIQPAGPJOJZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S/c1-2-5-11-10(4-1)8-16-18-14(11)20-9-13-17-19-15(21-13)12-6-3-7-22-12/h1-8H,9H2.
What are the key properties of 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 310.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phthalazin-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 4880151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).