N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine

C13H19N3O — CID 66415770

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCc2cc(C)no2)c1
InChIInChI=1S/C13H19N3O/c1-3-5-16-6-4-12(10-16)8-14-9-13-7-11(2)15-17-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3
InChIKeyOTIQUXMUKPFMSD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.48
Rot. Bonds6

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (PubChem CID 66415770) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
PubChem CID66415770
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCc2cc(C)no2)c1
InChIInChI=1S/C13H19N3O/c1-3-5-16-6-4-12(10-16)8-14-9-13-7-11(2)15-17-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3
InChIKeyOTIQUXMUKPFMSD-UHFFFAOYSA-N
XLogP2.48
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995
2-methoxy-N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404206
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236414
1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415106
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66473023
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 106936741
1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833951
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (CID 66415770) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is CCCn1ccc(CNCc2cc(C)no2)c1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The InChIKey is OTIQUXMUKPFMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-5-16-6-4-12(10-16)8-14-9-13-7-11(2)15-17-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66415770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).