N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C15H25N5O — CID 86781980

IUPACN-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc(C(NC(C)Cn2cnc(C)c2C)C(C)C)n1
InChIInChI=1S/C15H25N5O/c1-9(2)14(15-18-13(6)19-21-15)17-10(3)7-20-8-16-11(4)12(20)5/h8-10,14,17H,7H2,1-6H3
InChIKeyAJYJZSLADURHGA-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.57
Rot. Bonds6

About N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 86781980) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID86781980
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc(C(NC(C)Cn2cnc(C)c2C)C(C)C)n1
InChIInChI=1S/C15H25N5O/c1-9(2)14(15-18-13(6)19-21-15)17-10(3)7-20-8-16-11(4)12(20)5/h8-10,14,17H,7H2,1-6H3
InChIKeyAJYJZSLADURHGA-UHFFFAOYSA-N
XLogP2.57
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 86781980) is N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is Cc1noc(C(NC(C)Cn2cnc(C)c2C)C(C)C)n1.
What is the InChIKey of N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is AJYJZSLADURHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-9(2)14(15-18-13(6)19-21-15)17-10(3)7-20-8-16-11(4)12(20)5/h8-10,14,17H,7H2,1-6H3.
What are the key properties of N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 86781980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).