2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole

C6H5N3O2 — CID 143414477

IUPAC2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2ncco2)o1
InChIInChI=1S/C6H5N3O2/c1-4-8-9-6(11-4)5-7-2-3-10-5/h2-3H,1H3
InChIKeyJCRNAOAPUFUKJB-UHFFFAOYSA-N
MW151.12 g/mol
LogP1.03
Rot. Bonds1

About 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole

2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole (PubChem CID 143414477) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole
PubChem CID143414477
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2ncco2)o1
InChIInChI=1S/C6H5N3O2/c1-4-8-9-6(11-4)5-7-2-3-10-5/h2-3H,1H3
InChIKeyJCRNAOAPUFUKJB-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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Related Compounds

2-methyl-5-(1-methylimidazol-2-yl)-1,3,4-oxadiazole
CID 91318495
2-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 131089626
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 169166506
2-(4-methylpyrimidin-2-yl)-1,3-oxazole
CID 21025912
2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole
CID 166814094
3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 130621952
5-bromo-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 67057573
2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile
CID 71743317
2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole
CID 142022754
2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine
CID 66486222
2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
CID 104523710

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole (CID 143414477) is 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole is Cc1nnc(-c2ncco2)o1.
What is the InChIKey of 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is JCRNAOAPUFUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-4-8-9-6(11-4)5-7-2-3-10-5/h2-3H,1H3.
What are the key properties of 2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole?
2-methyl-5-(1,3-oxazol-2-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-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 143414477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).