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

C14H22N4O — CID 79105159

IUPACN-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2noc(CC)n2)c1
InChIInChI=1S/C14H22N4O/c1-4-12(15-6-3)11-7-8-18(9-11)10-13-16-14(5-2)19-17-13/h7-9,12,15H,4-6,10H2,1-3H3
InChIKeyPTUSPYMQHOIZPP-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.54
Rot. Bonds7

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

N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79105159) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79105159
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2noc(CC)n2)c1
InChIInChI=1S/C14H22N4O/c1-4-12(15-6-3)11-7-8-18(9-11)10-13-16-14(5-2)19-17-13/h7-9,12,15H,4-6,10H2,1-3H3
InChIKeyPTUSPYMQHOIZPP-UHFFFAOYSA-N
XLogP2.54
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105863
N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79103325
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 79109146
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79107942
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099852
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406190
N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104817
N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79105246
N-ethyl-1-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 107045562
N,2-dimethyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79096970
N-ethyl-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79109628
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79096848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (CID 79105159) is N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is CCNC(CC)c1ccn(Cc2noc(CC)n2)c1.
What is the InChIKey of N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is PTUSPYMQHOIZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-12(15-6-3)11-7-8-18(9-11)10-13-16-14(5-2)19-17-13/h7-9,12,15H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 262.36 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-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).