(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine

C16H23N3O2 — CID 62496967

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H23N3O2/c1-5-10-20-12-8-6-11(7-9-12)13(17)14-18-15(21-19-14)16(2,3)4/h6-9,13H,5,10,17H2,1-4H3
InChIKeyQRJWAYZWIQJQMQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.20
Rot. Bonds5

About (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine (PubChem CID 62496967) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine
PubChem CID62496967
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H23N3O2/c1-5-10-20-12-8-6-11(7-9-12)13(17)14-18-15(21-19-14)16(2,3)4/h6-9,13H,5,10,17H2,1-4H3
InChIKeyQRJWAYZWIQJQMQ-UHFFFAOYSA-N
XLogP3.20
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560016
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluorophenyl)methanamine
CID 43559883
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
CID 104822915
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine
CID 114937757
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
CID 43559879
(4-propan-2-yloxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 60916940
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine (CID 62496967) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2noc(C(C)(C)C)n2)cc1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine?
The InChIKey is QRJWAYZWIQJQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-10-20-12-8-6-11(7-9-12)13(17)14-18-15(21-19-14)16(2,3)4/h6-9,13H,5,10,17H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 62496967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).