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

C14H19N3O2 — CID 54877906

IUPAC4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine
SMILESCOc1ccc(CCC(C)(N)c2noc(C)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-10-16-13(17-19-10)14(2,15)9-8-11-4-6-12(18-3)7-5-11/h4-7H,8-9,15H2,1-3H3
InChIKeyYPCYYQNCUFQDPA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds5

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

4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine (PubChem CID 54877906) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine
PubChem CID54877906
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine
SMILESCOc1ccc(CCC(C)(N)c2noc(C)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-10-16-13(17-19-10)14(2,15)9-8-11-4-6-12(18-3)7-5-11/h4-7H,8-9,15H2,1-3H3
InChIKeyYPCYYQNCUFQDPA-UHFFFAOYSA-N
XLogP2.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine (CID 54877906) is 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine is COc1ccc(CCC(C)(N)c2noc(C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The InChIKey is YPCYYQNCUFQDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-16-13(17-19-10)14(2,15)9-8-11-4-6-12(18-3)7-5-11/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine?
4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine is sourced from PubChem (CID 54877906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).