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

C15H24N4O — CID 66401056

IUPAC2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCCCc1noc(Cn2cccc2CNC(C)(C)C)n1
InChIInChI=1S/C15H24N4O/c1-5-7-13-17-14(20-18-13)11-19-9-6-8-12(19)10-16-15(2,3)4/h6,8-9,16H,5,7,10-11H2,1-4H3
InChIKeySEVUFEUPAHDNGP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.76
Rot. Bonds6

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

2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66401056) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66401056
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCCCc1noc(Cn2cccc2CNC(C)(C)C)n1
InChIInChI=1S/C15H24N4O/c1-5-7-13-17-14(20-18-13)11-19-9-6-8-12(19)10-16-15(2,3)4/h6,8-9,16H,5,7,10-11H2,1-4H3
InChIKeySEVUFEUPAHDNGP-UHFFFAOYSA-N
XLogP2.76
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402608
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402914
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66408823
2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403771
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401842
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406190
N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402996
N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55243449
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine (CID 66401056) is 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine is CCCc1noc(Cn2cccc2CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is SEVUFEUPAHDNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-7-13-17-14(20-18-13)11-19-9-6-8-12(19)10-16-15(2,3)4/h6,8-9,16H,5,7,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66401056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).