[5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

C12H11N5O2 — CID 115529364

IUPAC[5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
SMILESCc1nccc(-c2noc(-c3ccc(CN)o3)n2)n1
InChIInChI=1S/C12H11N5O2/c1-7-14-5-4-9(15-7)11-16-12(19-17-11)10-3-2-8(6-13)18-10/h2-5H,6,13H2,1H3
InChIKeyNVAOBHFTTQDRJM-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.55
Rot. Bonds3

About [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

[5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine (PubChem CID 115529364) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
PubChem CID115529364
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name[5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
SMILESCc1nccc(-c2noc(-c3ccc(CN)o3)n2)n1
InChIInChI=1S/C12H11N5O2/c1-7-14-5-4-9(15-7)11-16-12(19-17-11)10-3-2-8(6-13)18-10/h2-5H,6,13H2,1H3
InChIKeyNVAOBHFTTQDRJM-UHFFFAOYSA-N
XLogP1.55
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115529377
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743077
5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747822
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 115531546
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 115529371
[5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 82809820
2-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 115529262
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928477
1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 113329701

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The IUPAC name of [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine (CID 115529364) is [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The canonical SMILES for [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine is Cc1nccc(-c2noc(-c3ccc(CN)o3)n2)n1.
What is the InChIKey of [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The InChIKey is NVAOBHFTTQDRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-7-14-5-4-9(15-7)11-16-12(19-17-11)10-3-2-8(6-13)18-10/h2-5H,6,13H2,1H3.
What are the key properties of [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
[5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine has a molecular weight of 257.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine is sourced from PubChem (CID 115529364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).