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

C13H12N4O2 — CID 141297233

IUPAC5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1nocc1Nc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C13H12N4O2/c1-9-11(8-18-17-9)14-13-16-15-12(19-13)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,16)
InChIKeyDHIUQBWLPRJBNL-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.70
Rot. Bonds4

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

5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 141297233) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID141297233
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1nocc1Nc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C13H12N4O2/c1-9-11(8-18-17-9)14-13-16-15-12(19-13)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,16)
InChIKeyDHIUQBWLPRJBNL-UHFFFAOYSA-N
XLogP2.70
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine (CID 141297233) is 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine is Cc1nocc1Nc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DHIUQBWLPRJBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-9-11(8-18-17-9)14-13-16-15-12(19-13)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,16).
What are the key properties of 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine?
5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 256.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 141297233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).