[3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

C14H19N3O2 — CID 115112715

IUPAC[3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCC(C)(C)c1ccc(-c2noc(CN)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-14(2,9-18-3)11-6-4-10(5-7-11)13-16-12(8-15)19-17-13/h4-7H,8-9,15H2,1-3H3
InChIKeyUWFNXAWUNXJQKH-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.12
Rot. Bonds5

About [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 115112715) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID115112715
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name[3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCC(C)(C)c1ccc(-c2noc(CN)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-14(2,9-18-3)11-6-4-10(5-7-11)13-16-12(8-15)19-17-13/h4-7H,8-9,15H2,1-3H3
InChIKeyUWFNXAWUNXJQKH-UHFFFAOYSA-N
XLogP2.12
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 82479873
[3-[4-(1-methoxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117338078
[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112725
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117338150
4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 115112198
[3-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117499167
[3-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117447663
[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008072

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 115112715) is [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is COCC(C)(C)c1ccc(-c2noc(CN)n2)cc1.
What is the InChIKey of [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is UWFNXAWUNXJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,9-18-3)11-6-4-10(5-7-11)13-16-12(8-15)19-17-13/h4-7H,8-9,15H2,1-3H3.
What are the key properties of [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 115112715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).