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

C15H22N4O — CID 79103325

IUPACN-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(Cc2noc(CC)n2)c1)C1CC1
InChIInChI=1S/C15H22N4O/c1-3-14-17-13(18-20-14)10-19-8-7-12(9-19)15(16-4-2)11-5-6-11/h7-9,11,15-16H,3-6,10H2,1-2H3
InChIKeyXMDYINXBBGMSSV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.54
Rot. Bonds7

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

N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 79103325) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID79103325
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(Cc2noc(CC)n2)c1)C1CC1
InChIInChI=1S/C15H22N4O/c1-3-14-17-13(18-20-14)10-19-8-7-12(9-19)15(16-4-2)11-5-6-11/h7-9,11,15-16H,3-6,10H2,1-2H3
InChIKeyXMDYINXBBGMSSV-UHFFFAOYSA-N
XLogP2.54
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105159
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 79109146
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099232
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79107942
N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79098339
N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045583
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105863
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099852
N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine
CID 79103410
1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
CID 79104183
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406190
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099859

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 79103325) is N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine is CCNC(c1ccn(Cc2noc(CC)n2)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is XMDYINXBBGMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-14-17-13(18-20-14)10-19-8-7-12(9-19)15(16-4-2)11-5-6-11/h7-9,11,15-16H,3-6,10H2,1-2H3.
What are the key properties of N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79103325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).