N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine

C11H16N4O — CID 79102152

IUPACN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1nnc(C)o1
InChIInChI=1S/C11H16N4O/c1-8(12-3)10-5-4-6-15(10)7-11-14-13-9(2)16-11/h4-6,8,12H,7H2,1-3H3
InChIKeyDFMFEJLMSZHGLC-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.51
Rot. Bonds4

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

N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79102152) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79102152
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1nnc(C)o1
InChIInChI=1S/C11H16N4O/c1-8(12-3)10-5-4-6-15(10)7-11-14-13-9(2)16-11/h4-6,8,12H,7H2,1-3H3
InChIKeyDFMFEJLMSZHGLC-UHFFFAOYSA-N
XLogP1.51
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine (CID 79102152) is N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine is CNC(C)c1cccn1Cc1nnc(C)o1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is DFMFEJLMSZHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(12-3)10-5-4-6-15(10)7-11-14-13-9(2)16-11/h4-6,8,12H,7H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine?
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).