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

C13H11N5O — CID 60894269

IUPAC[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nc(-c3ncccn3)no2)c1
InChIInChI=1S/C13H11N5O/c14-8-9-3-1-4-10(7-9)13-17-12(18-19-13)11-15-5-2-6-16-11/h1-7H,8,14H2
InChIKeyLXBAVXCYUXLWTD-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.65
Rot. Bonds3

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

[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine (PubChem CID 60894269) has the molecular formula C13H11N5O and a molecular weight of 253.26 g/mol. Its IUPAC name is [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
PubChem CID60894269
Molecular FormulaC13H11N5O
Molecular Weight253.26 g/mol
Exact Mass253.10
IUPAC Name[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nc(-c3ncccn3)no2)c1
InChIInChI=1S/C13H11N5O/c14-8-9-3-1-4-10(7-9)13-17-12(18-19-13)11-15-5-2-6-16-11/h1-7H,8,14H2
InChIKeyLXBAVXCYUXLWTD-UHFFFAOYSA-N
XLogP1.65
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 103442621
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709
[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 104788905
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365
[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116740949
2-[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylethanamine
CID 115345482
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754802
4-[[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 60894442
[3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 60893719
2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63839551
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713

Frequently Asked Questions

What is the IUPAC name of [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The IUPAC name of [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine (CID 60894269) is [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The canonical SMILES for [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine is NCc1cccc(-c2nc(-c3ncccn3)no2)c1.
What is the InChIKey of [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The InChIKey is LXBAVXCYUXLWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-8-9-3-1-4-10(7-9)13-17-12(18-19-13)11-15-5-2-6-16-11/h1-7H,8,14H2.
What are the key properties of [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine has a molecular weight of 253.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 60894269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).