2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C10H15N5O — CID 82895457

IUPAC2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2cncn2C)no1
InChIInChI=1S/C10H15N5O/c1-3-7(4-11)10-13-9(14-16-10)8-5-12-6-15(8)2/h5-7H,3-4,11H2,1-2H3
InChIKeyIBEBMDOGCKYVOH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.92
Rot. Bonds4

About 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 82895457) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID82895457
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2cncn2C)no1
InChIInChI=1S/C10H15N5O/c1-3-7(4-11)10-13-9(14-16-10)8-5-12-6-15(8)2/h5-7H,3-4,11H2,1-2H3
InChIKeyIBEBMDOGCKYVOH-UHFFFAOYSA-N
XLogP0.92
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 82895652
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 82895642
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82903110
N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82902395
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 82903104
[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 82903111
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 82903373
2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222379
ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 82895462
ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 82887921
[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 82895451
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222995

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 82895457) is 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC(CN)c1nc(-c2cncn2C)no1.
What is the InChIKey of 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is IBEBMDOGCKYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-7(4-11)10-13-9(14-16-10)8-5-12-6-15(8)2/h5-7H,3-4,11H2,1-2H3.
What are the key properties of 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 82895457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).