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

C11H16N4O2 — CID 61326086

IUPAC3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2cnoc2C)n1
InChIInChI=1S/C11H16N4O2/c1-4-11(12,5-2)10-14-9(17-15-10)8-6-13-16-7(8)3/h6H,4-5,12H2,1-3H3
InChIKeyFHGMYNCIFBEZGD-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.01
Rot. Bonds4

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

3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 61326086) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID61326086
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2cnoc2C)n1
InChIInChI=1S/C11H16N4O2/c1-4-11(12,5-2)10-14-9(17-15-10)8-6-13-16-7(8)3/h6H,4-5,12H2,1-3H3
InChIKeyFHGMYNCIFBEZGD-UHFFFAOYSA-N
XLogP2.01
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 61326086) is 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2cnoc2C)n1.
What is the InChIKey of 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is FHGMYNCIFBEZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-11(12,5-2)10-14-9(17-15-10)8-6-13-16-7(8)3/h6H,4-5,12H2,1-3H3.
What are the key properties of 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 236.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 61326086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).