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

C10H19N3O — CID 110651557

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nnc(C)o1
InChIInChI=1S/C10H19N3O/c1-4-6-13(7-5-2)8-10-12-11-9(3)14-10/h4-8H2,1-3H3
InChIKeyVYBWFPLUUBEPSQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.00
Rot. Bonds6

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine (PubChem CID 110651557) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine
PubChem CID110651557
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nnc(C)o1
InChIInChI=1S/C10H19N3O/c1-4-6-13(7-5-2)8-10-12-11-9(3)14-10/h4-8H2,1-3H3
InChIKeyVYBWFPLUUBEPSQ-UHFFFAOYSA-N
XLogP2.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine (CID 110651557) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1nnc(C)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine?
The InChIKey is VYBWFPLUUBEPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-13(7-5-2)8-10-12-11-9(3)14-10/h4-8H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 110651557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).