2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole

C19H15N5O3 — CID 166197678

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1cc(-c2cncc(-c3nnc(C4COc5ccccc5O4)o3)c2)cn1
InChIInChI=1S/C19H15N5O3/c1-24-10-14(9-21-24)12-6-13(8-20-7-12)18-22-23-19(27-18)17-11-25-15-4-2-3-5-16(15)26-17/h2-10,17H,11H2,1H3
InChIKeyHVNWWUDYESDIAX-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.04
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 166197678) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID166197678
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1cc(-c2cncc(-c3nnc(C4COc5ccccc5O4)o3)c2)cn1
InChIInChI=1S/C19H15N5O3/c1-24-10-14(9-21-24)12-6-13(8-20-7-12)18-22-23-19(27-18)17-11-25-15-4-2-3-5-16(15)26-17/h2-10,17H,11H2,1H3
InChIKeyHVNWWUDYESDIAX-UHFFFAOYSA-N
XLogP3.04
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole 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

2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 110090655
3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 95763196
potassium 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole-2-thiolate
CID 146020826
2-(chloromethyl)-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 5190640
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489389
[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 121069044
(2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 97313413
2,3-dihydro-1,4-benzodioxin-3-yl-(1-methylpyrazol-4-yl)methanamine
CID 43124178
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137759
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[[(3R)-1-methylpiperidin-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 124819616
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 51209161

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole (CID 166197678) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole is Cn1cc(-c2cncc(-c3nnc(C4COc5ccccc5O4)o3)c2)cn1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is HVNWWUDYESDIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-24-10-14(9-21-24)12-6-13(8-20-7-12)18-22-23-19(27-18)17-11-25-15-4-2-3-5-16(15)26-17/h2-10,17H,11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 361.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 166197678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).