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

C12H10N4O2 — CID 117357252

IUPAC[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cccc(-c3ncco3)c2)no1
InChIInChI=1S/C12H10N4O2/c13-7-10-15-11(16-18-10)8-2-1-3-9(6-8)12-14-4-5-17-12/h1-6H,7,13H2
InChIKeyVIAUGERCEXLEOT-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.85
Rot. Bonds3

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

[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117357252) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117357252
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cccc(-c3ncco3)c2)no1
InChIInChI=1S/C12H10N4O2/c13-7-10-15-11(16-18-10)8-2-1-3-9(6-8)12-14-4-5-17-12/h1-6H,7,13H2
InChIKeyVIAUGERCEXLEOT-UHFFFAOYSA-N
XLogP1.85
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
(3-isoquinolin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 117325171
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330765
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
[3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115003949
1-[3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-methylurea
CID 117370015
[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117357252) is [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2cccc(-c3ncco3)c2)no1.
What is the InChIKey of [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is VIAUGERCEXLEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-7-10-15-11(16-18-10)8-2-1-3-9(6-8)12-14-4-5-17-12/h1-6H,7,13H2.
What are the key properties of [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 242.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117357252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).