2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole

C6H5N3O2 — CID 58646237

IUPAC2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2nnco2)co1
InChIInChI=1S/C6H5N3O2/c1-4-8-5(2-10-4)6-9-7-3-11-6/h2-3H,1H3
InChIKeyLSJTXGZHAPZSTI-UHFFFAOYSA-N
MW151.12 g/mol
LogP1.03
Rot. Bonds1

About 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole

2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole (PubChem CID 58646237) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole
PubChem CID58646237
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2nnco2)co1
InChIInChI=1S/C6H5N3O2/c1-4-8-5(2-10-4)6-9-7-3-11-6/h2-3H,1H3
InChIKeyLSJTXGZHAPZSTI-UHFFFAOYSA-N
XLogP1.03
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole (CID 58646237) is 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole is Cc1nc(-c2nnco2)co1.
What is the InChIKey of 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is LSJTXGZHAPZSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-4-8-5(2-10-4)6-9-7-3-11-6/h2-3H,1H3.
What are the key properties of 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole?
2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 151.12 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 58646237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).