2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine

C13H24N4O — CID 43655469

IUPAC2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCc1noc(CNCC2CC2)n1
InChIInChI=1S/C13H24N4O/c1-3-17(4-2)8-7-12-15-13(18-16-12)10-14-9-11-5-6-11/h11,14H,3-10H2,1-2H3
InChIKeyNPBOGMVHOPZHKL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds9

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

2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine (PubChem CID 43655469) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
PubChem CID43655469
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCc1noc(CNCC2CC2)n1
InChIInChI=1S/C13H24N4O/c1-3-17(4-2)8-7-12-15-13(18-16-12)10-14-9-11-5-6-11/h11,14H,3-10H2,1-2H3
InChIKeyNPBOGMVHOPZHKL-UHFFFAOYSA-N
XLogP1.45
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine (CID 43655469) is 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine is CCN(CC)CCc1noc(CNCC2CC2)n1.
What is the InChIKey of 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine?
The InChIKey is NPBOGMVHOPZHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-17(4-2)8-7-12-15-13(18-16-12)10-14-9-11-5-6-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine?
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine is sourced from PubChem (CID 43655469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).