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

C16H29N3O2 — CID 63347257

IUPAC4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc(CC2CCCO2)no1)C(C)C
InChIInChI=1S/C16H29N3O2/c1-5-8-17-12(4)15(11(2)3)16-18-14(19-21-16)10-13-7-6-9-20-13/h11-13,15,17H,5-10H2,1-4H3
InChIKeyLSHJPLXHYFUHOE-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.92
Rot. Bonds8

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

4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 63347257) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID63347257
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc(CC2CCCO2)no1)C(C)C
InChIInChI=1S/C16H29N3O2/c1-5-8-17-12(4)15(11(2)3)16-18-14(19-21-16)10-13-7-6-9-20-13/h11-13,15,17H,5-10H2,1-4H3
InChIKeyLSHJPLXHYFUHOE-UHFFFAOYSA-N
XLogP2.92
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 63347257) is 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(C)C(c1nc(CC2CCCO2)no1)C(C)C.
What is the InChIKey of 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is LSHJPLXHYFUHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-8-17-12(4)15(11(2)3)16-18-14(19-21-16)10-13-7-6-9-20-13/h11-13,15,17H,5-10H2,1-4H3.
What are the key properties of 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 63347257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).