N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine

C12H13N3O — CID 62595048

IUPACN-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccccc1-c1noc(NC2CC2)n1
InChIInChI=1S/C12H13N3O/c1-8-4-2-3-5-10(8)11-14-12(16-15-11)13-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,13,14,15)
InChIKeyREJXWADVCUBYCK-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.62
Rot. Bonds3

About N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595048) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595048
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccccc1-c1noc(NC2CC2)n1
InChIInChI=1S/C12H13N3O/c1-8-4-2-3-5-10(8)11-14-12(16-15-11)13-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,13,14,15)
InChIKeyREJXWADVCUBYCK-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 62595048) is N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine is Cc1ccccc1-c1noc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is REJXWADVCUBYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-4-2-3-5-10(8)11-14-12(16-15-11)13-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,13,14,15).
What are the key properties of N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 215.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).