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

C15H27N3O2 — CID 65329235

IUPAC4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc(C2CCOC2)no1)C(C)C
InChIInChI=1S/C15H27N3O2/c1-5-7-16-11(4)13(10(2)3)15-17-14(18-20-15)12-6-8-19-9-12/h10-13,16H,5-9H2,1-4H3
InChIKeyIILKUNJJDFKNHT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.70
Rot. Bonds7

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

4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 65329235) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID65329235
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc(C2CCOC2)no1)C(C)C
InChIInChI=1S/C15H27N3O2/c1-5-7-16-11(4)13(10(2)3)15-17-14(18-20-15)12-6-8-19-9-12/h10-13,16H,5-9H2,1-4H3
InChIKeyIILKUNJJDFKNHT-UHFFFAOYSA-N
XLogP2.70
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 65329237
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389298
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
CID 116809085
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65333945
ethyl 4-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475005
2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81085041
N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65402819
(1S)-1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565376
4-methyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350508
N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65334140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 65329235) is 4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(C)C(c1nc(C2CCOC2)no1)C(C)C.
What is the InChIKey of 4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is IILKUNJJDFKNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-7-16-11(4)13(10(2)3)15-17-14(18-20-15)12-6-8-19-9-12/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.70, 7 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-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 65329235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).