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

C10H14N4O — CID 79099727

IUPACN-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(Cc2ncon2)c1
InChIInChI=1S/C10H14N4O/c1-8(11-2)9-3-4-14(5-9)6-10-12-7-15-13-10/h3-5,7-8,11H,6H2,1-2H3
InChIKeyOSPMXDGFVGYQQM-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.20
Rot. Bonds4

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

N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine (PubChem CID 79099727) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine
PubChem CID79099727
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(Cc2ncon2)c1
InChIInChI=1S/C10H14N4O/c1-8(11-2)9-3-4-14(5-9)6-10-12-7-15-13-10/h3-5,7-8,11H,6H2,1-2H3
InChIKeyOSPMXDGFVGYQQM-UHFFFAOYSA-N
XLogP1.20
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.20
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-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine (CID 79099727) is N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine is CNC(C)c1ccn(Cc2ncon2)c1.
What is the InChIKey of N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine?
The InChIKey is OSPMXDGFVGYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(11-2)9-3-4-14(5-9)6-10-12-7-15-13-10/h3-5,7-8,11H,6H2,1-2H3.
What are the key properties of N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine?
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine has a molecular weight of 206.25 g/mol, XLogP of 1.20, 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-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79099727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).