N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine

C11H14N4O — CID 106936741

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESC=Cn1cc(CNCc2cc(C)no2)cn1
InChIInChI=1S/C11H14N4O/c1-3-15-8-10(6-13-15)5-12-7-11-4-9(2)14-16-11/h3-4,6,8,12H,1,5,7H2,2H3
InChIKeyMOIRWRLOZGGILT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.57
Rot. Bonds5

About N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine

N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine (PubChem CID 106936741) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
PubChem CID106936741
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESC=Cn1cc(CNCc2cc(C)no2)cn1
InChIInChI=1S/C11H14N4O/c1-3-15-8-10(6-13-15)5-12-7-11-4-9(2)14-16-11/h3-4,6,8,12H,1,5,7H2,2H3
InChIKeyMOIRWRLOZGGILT-UHFFFAOYSA-N
XLogP1.57
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 107095512
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 106936465
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 106937029
N-[(1-ethenylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 106936577
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66415770
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66473023
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
2-but-3-enoxy-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 107094823
N-[(1-ethenylpyrazol-4-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106936815

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine (CID 106936741) is N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine is C=Cn1cc(CNCc2cc(C)no2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is MOIRWRLOZGGILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-15-8-10(6-13-15)5-12-7-11-4-9(2)14-16-11/h3-4,6,8,12H,1,5,7H2,2H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 218.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 106936741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).