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

C14H23N5O — CID 82902554

IUPAC1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(-c2cncn2C)no1
InChIInChI=1S/C14H23N5O/c1-4-6-11(16-7-5-2)8-13-17-14(18-20-13)12-9-15-10-19(12)3/h9-11,16H,4-8H2,1-3H3
InChIKeyIALYVXHWVFOINP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.18
Rot. Bonds8

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

1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 82902554) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID82902554
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(-c2cncn2C)no1
InChIInChI=1S/C14H23N5O/c1-4-6-11(16-7-5-2)8-13-17-14(18-20-13)12-9-15-10-19(12)3/h9-11,16H,4-8H2,1-3H3
InChIKeyIALYVXHWVFOINP-UHFFFAOYSA-N
XLogP2.18
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 82902554) is 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(CCC)Cc1nc(-c2cncn2C)no1.
What is the InChIKey of 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is IALYVXHWVFOINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-6-11(16-7-5-2)8-13-17-14(18-20-13)12-9-15-10-19(12)3/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 82902554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).