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

C14H22N4O — CID 66406190

IUPACN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(Cn2ccc(CNC(C)(C)C)c2)no1
InChIInChI=1S/C14H22N4O/c1-5-13-16-12(17-19-13)10-18-7-6-11(9-18)8-15-14(2,3)4/h6-7,9,15H,5,8,10H2,1-4H3
InChIKeyBLPLFLKSQQFGKK-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.37
Rot. Bonds5

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

N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66406190) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID66406190
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(Cn2ccc(CNC(C)(C)C)c2)no1
InChIInChI=1S/C14H22N4O/c1-5-13-16-12(17-19-13)10-18-7-6-11(9-18)8-15-14(2,3)4/h6-7,9,15H,5,8,10H2,1-4H3
InChIKeyBLPLFLKSQQFGKK-UHFFFAOYSA-N
XLogP2.37
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406189
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193228
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063220
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]butan-1-amine
CID 79107942
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405412
2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66404386
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099852
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-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79103325
N-[[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404585
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405357

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (CID 66406190) is N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is CCc1nc(Cn2ccc(CNC(C)(C)C)c2)no1.
What is the InChIKey of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BLPLFLKSQQFGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-13-16-12(17-19-13)10-18-7-6-11(9-18)8-15-14(2,3)4/h6-7,9,15H,5,8,10H2,1-4H3.
What are the key properties of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66406190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).