1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine

C11H15N5O3S — CID 115529105

IUPAC1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
SMILESCc1nccc(-c2noc(C(N)CCS(C)(=O)=O)n2)n1
InChIInChI=1S/C11H15N5O3S/c1-7-13-5-3-9(14-7)10-15-11(19-16-10)8(12)4-6-20(2,17)18/h3,5,8H,4,6,12H2,1-2H3
InChIKeyCVNOANRUFQTDLY-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.27
Rot. Bonds5

About 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine

1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine (PubChem CID 115529105) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
PubChem CID115529105
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
SMILESCc1nccc(-c2noc(C(N)CCS(C)(=O)=O)n2)n1
InChIInChI=1S/C11H15N5O3S/c1-7-13-5-3-9(14-7)10-15-11(19-16-10)8(12)4-6-20(2,17)18/h3,5,8H,4,6,12H2,1-2H3
InChIKeyCVNOANRUFQTDLY-UHFFFAOYSA-N
XLogP0.27
TPSA124.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 107502076
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
CID 65418555
3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43095881
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 81261314
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 62332403
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63839212
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 115529371
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 115531396
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine (CID 115529105) is 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine is Cc1nccc(-c2noc(C(N)CCS(C)(=O)=O)n2)n1.
What is the InChIKey of 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine?
The InChIKey is CVNOANRUFQTDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-7-13-5-3-9(14-7)10-15-11(19-16-10)8(12)4-6-20(2,17)18/h3,5,8H,4,6,12H2,1-2H3.
What are the key properties of 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine?
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine has a molecular weight of 297.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115529105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).