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

C6H4ClN3O2 — CID 114770814

IUPAC2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(Cl)o2)on1
InChIInChI=1S/C6H4ClN3O2/c1-3-2-4(12-10-3)5-8-9-6(7)11-5/h2H,1H3
InChIKeyMYTOTHGIIQUQCT-UHFFFAOYSA-N
MW185.57 g/mol
LogP1.69
Rot. Bonds1

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

2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole (PubChem CID 114770814) has the molecular formula C6H4ClN3O2 and a molecular weight of 185.57 g/mol. Its IUPAC name is 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
PubChem CID114770814
Molecular FormulaC6H4ClN3O2
Molecular Weight185.57 g/mol
Exact Mass185.00
IUPAC Name2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(Cl)o2)on1
InChIInChI=1S/C6H4ClN3O2/c1-3-2-4(12-10-3)5-8-9-6(7)11-5/h2H,1H3
InChIKeyMYTOTHGIIQUQCT-UHFFFAOYSA-N
XLogP1.69
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751
2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
CID 114770970
2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 114770871
5-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868891
4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol
CID 137192993
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole
CID 169499017
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 114771038
3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 103095483
2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole (CID 114770814) is 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(Cl)o2)on1.
What is the InChIKey of 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is MYTOTHGIIQUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O2/c1-3-2-4(12-10-3)5-8-9-6(7)11-5/h2H,1H3.
What are the key properties of 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole?
2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 185.57 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114770814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).