2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one

C18H15N5O3 — CID 136522454

IUPAC2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one
SMILESCCn1nc(-c2nnc(-c3cccc(OC)n3)o2)c2ccccc2c1=O
InChIInChI=1S/C18H15N5O3/c1-3-23-18(24)12-8-5-4-7-11(12)15(22-23)17-21-20-16(26-17)13-9-6-10-14(19-13)25-2/h4-10H,3H2,1-2H3
InChIKeyZTWOJUYSHDTUBZ-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.54
Rot. Bonds4

About 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one

2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one (PubChem CID 136522454) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one
PubChem CID136522454
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one
SMILESCCn1nc(-c2nnc(-c3cccc(OC)n3)o2)c2ccccc2c1=O
InChIInChI=1S/C18H15N5O3/c1-3-23-18(24)12-8-5-4-7-11(12)15(22-23)17-21-20-16(26-17)13-9-6-10-14(19-13)25-2/h4-10H,3H2,1-2H3
InChIKeyZTWOJUYSHDTUBZ-UHFFFAOYSA-N
XLogP2.54
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one with MolForge

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Related Compounds

2-benzyl-4-[5-(3-oxobutylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one
CID 4858776
4-(aminomethyl)-2-ethylphthalazin-1-one
CID 819195
2-benzyl-4-[5-[(3-propan-2-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one
CID 55764969
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one
CID 110170191
4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-ethylphthalazin-1-one
CID 136559811
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(propan-2-ylideneamino)acetamide
CID 44724691
4-benzyl-2-ethylphthalazin-1-one
CID 18336950
3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
CID 26710366
N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2674005

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one?
The IUPAC name of 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one (CID 136522454) is 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one.
What is the SMILES notation for 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one?
The canonical SMILES for 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one is CCn1nc(-c2nnc(-c3cccc(OC)n3)o2)c2ccccc2c1=O.
What is the InChIKey of 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one?
The InChIKey is ZTWOJUYSHDTUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-3-23-18(24)12-8-5-4-7-11(12)15(22-23)17-21-20-16(26-17)13-9-6-10-14(19-13)25-2/h4-10H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one?
2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one has a molecular weight of 349.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[5-(6-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one is sourced from PubChem (CID 136522454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).