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

C11H15N3O2 — CID 134183161

IUPAC5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2nc(C(C)C)c(C)o2)no1
InChIInChI=1S/C11H15N3O2/c1-6(2)11-7(3)15-10(13-11)5-9-12-8(4)16-14-9/h6H,5H2,1-4H3
InChIKeyNBVJLDPBBKCXML-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.39
Rot. Bonds3

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

5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole (PubChem CID 134183161) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole
PubChem CID134183161
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2nc(C(C)C)c(C)o2)no1
InChIInChI=1S/C11H15N3O2/c1-6(2)11-7(3)15-10(13-11)5-9-12-8(4)16-14-9/h6H,5H2,1-4H3
InChIKeyNBVJLDPBBKCXML-UHFFFAOYSA-N
XLogP2.39
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole (CID 134183161) is 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole is Cc1nc(Cc2nc(C(C)C)c(C)o2)no1.
What is the InChIKey of 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is NBVJLDPBBKCXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6(2)11-7(3)15-10(13-11)5-9-12-8(4)16-14-9/h6H,5H2,1-4H3.
What are the key properties of 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole?
5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 221.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 134183161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).