2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C11H15N5O — CID 43622133

IUPAC2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc(-c2ncccn2)no1
InChIInChI=1S/C11H15N5O/c1-3-7(2)8(12)11-15-10(16-17-11)9-13-5-4-6-14-9/h4-8H,3,12H2,1-2H3
InChIKeyXLQQGMGZJWTGIV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 43622133) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID43622133
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc(-c2ncccn2)no1
InChIInChI=1S/C11H15N5O/c1-3-7(2)8(12)11-15-10(16-17-11)9-13-5-4-6-14-9/h4-8H,3,12H2,1-2H3
InChIKeyXLQQGMGZJWTGIV-UHFFFAOYSA-N
XLogP1.57
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 103832881
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104899989
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
(1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900256
(1S,2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 29047795
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 62715364
(1S)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103399514
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 43152100
(1S)-2-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900334
2-methyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43627786
(1S,2S)-2-methyl-1-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900335
2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65196341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 43622133) is 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCC(C)C(N)c1nc(-c2ncccn2)no1.
What is the InChIKey of 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is XLQQGMGZJWTGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-7(2)8(12)11-15-10(16-17-11)9-13-5-4-6-14-9/h4-8H,3,12H2,1-2H3.
What are the key properties of 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 43622133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).