1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

C13H20N4O — CID 79096953

IUPAC1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCCc1nnc(Cn2ccc(C(N)C(C)C)c2)o1
InChIInChI=1S/C13H20N4O/c1-4-11-15-16-12(18-11)8-17-6-5-10(7-17)13(14)9(2)3/h5-7,9,13H,4,8,14H2,1-3H3
InChIKeyWULZKAJWEDNTNA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds5

About 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine (PubChem CID 79096953) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
PubChem CID79096953
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCCc1nnc(Cn2ccc(C(N)C(C)C)c2)o1
InChIInChI=1S/C13H20N4O/c1-4-11-15-16-12(18-11)8-17-6-5-10(7-17)13(14)9(2)3/h5-7,9,13H,4,8,14H2,1-3H3
InChIKeyWULZKAJWEDNTNA-UHFFFAOYSA-N
XLogP2.14
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine (CID 79096953) is 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine is CCc1nnc(Cn2ccc(C(N)C(C)C)c2)o1.
What is the InChIKey of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The InChIKey is WULZKAJWEDNTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-11-15-16-12(18-11)8-17-6-5-10(7-17)13(14)9(2)3/h5-7,9,13H,4,8,14H2,1-3H3.
What are the key properties of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79096953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).