(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine

C13H17N3O — CID 43559660

IUPAC(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2noc(C(C)C)n2)cc1
InChIInChI=1S/C13H17N3O/c1-8(2)13-15-12(16-17-13)11(14)10-6-4-9(3)5-7-10/h4-8,11H,14H2,1-3H3
InChIKeyUNJNTQPGKOSXDR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.55
Rot. Bonds3

About (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine

(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559660) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559660
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2noc(C(C)C)n2)cc1
InChIInChI=1S/C13H17N3O/c1-8(2)13-15-12(16-17-13)11(14)10-6-4-9(3)5-7-10/h4-8,11H,14H2,1-3H3
InChIKeyUNJNTQPGKOSXDR-UHFFFAOYSA-N
XLogP2.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559660) is (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine is Cc1ccc(C(N)c2noc(C(C)C)n2)cc1.
What is the InChIKey of (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is UNJNTQPGKOSXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)13-15-12(16-17-13)11(14)10-6-4-9(3)5-7-10/h4-8,11H,14H2,1-3H3.
What are the key properties of (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).