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

C7H8N4O2 — CID 66486222

IUPAC2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine
SMILESCc1nnc(-c2nc(C)oc2N)o1
InChIInChI=1S/C7H8N4O2/c1-3-9-5(6(8)12-3)7-11-10-4(2)13-7/h8H2,1-2H3
InChIKeyKOAORHALPPJMNF-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.92
Rot. Bonds1

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

2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine (PubChem CID 66486222) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine
PubChem CID66486222
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine
SMILESCc1nnc(-c2nc(C)oc2N)o1
InChIInChI=1S/C7H8N4O2/c1-3-9-5(6(8)12-3)7-11-10-4(2)13-7/h8H2,1-2H3
InChIKeyKOAORHALPPJMNF-UHFFFAOYSA-N
XLogP0.92
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine?
The IUPAC name of 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine (CID 66486222) is 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine is Cc1nnc(-c2nc(C)oc2N)o1.
What is the InChIKey of 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine?
The InChIKey is KOAORHALPPJMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-3-9-5(6(8)12-3)7-11-10-4(2)13-7/h8H2,1-2H3.
What are the key properties of 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine?
2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine has a molecular weight of 180.17 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-oxazol-5-amine is sourced from PubChem (CID 66486222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).