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

C14H19N3O2 — CID 43559879

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2noc(C(C)(C)C)n2)c1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)13-16-12(17-19-13)11(15)9-6-5-7-10(8-9)18-4/h5-8,11H,15H2,1-4H3
InChIKeyQMSCSBVNAWSFCG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.42
Rot. Bonds3

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

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine (PubChem CID 43559879) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
PubChem CID43559879
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2noc(C(C)(C)C)n2)c1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)13-16-12(17-19-13)11(15)9-6-5-7-10(8-9)18-4/h5-8,11H,15H2,1-4H3
InChIKeyQMSCSBVNAWSFCG-UHFFFAOYSA-N
XLogP2.42
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
CID 43559856
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluorophenyl)methanamine
CID 43559883
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine
CID 62496967
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
CID 104822915
(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 60874665
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
4-[amino-(3-methoxyphenyl)methyl]aniline
CID 116936827
(S)-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]-(3-methoxyphenyl)methanamine
CID 97287391
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
N-[[3-[(S)-amino-(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxyaniline
CID 97287337
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
(3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
CID 79169677

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine (CID 43559879) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2noc(C(C)(C)C)n2)c1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine?
The InChIKey is QMSCSBVNAWSFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)13-16-12(17-19-13)11(15)9-6-5-7-10(8-9)18-4/h5-8,11H,15H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine has a molecular weight of 261.32 g/mol, XLogP of 2.42, 3 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)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 43559879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).