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

C12H19N5O — CID 82903110

IUPAC4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(C)C(c1nc(-c2cncn2C)no1)C(C)N
InChIInChI=1S/C12H19N5O/c1-7(2)10(8(3)13)12-15-11(16-18-12)9-5-14-6-17(9)4/h5-8,10H,13H2,1-4H3
InChIKeyVCHFTMAMABXWIF-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.56
Rot. Bonds4

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

4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 82903110) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID82903110
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(C)C(c1nc(-c2cncn2C)no1)C(C)N
InChIInChI=1S/C12H19N5O/c1-7(2)10(8(3)13)12-15-11(16-18-12)9-5-14-6-17(9)4/h5-8,10H,13H2,1-4H3
InChIKeyVCHFTMAMABXWIF-UHFFFAOYSA-N
XLogP1.56
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 82903110) is 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CC(C)C(c1nc(-c2cncn2C)no1)C(C)N.
What is the InChIKey of 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is VCHFTMAMABXWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7(2)10(8(3)13)12-15-11(16-18-12)9-5-14-6-17(9)4/h5-8,10H,13H2,1-4H3.
What are the key properties of 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 82903110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).