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

C12H16N4O — CID 107095512

IUPAC1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESC=Cn1cc(CNCc2ncc(CC)o2)cn1
InChIInChI=1S/C12H16N4O/c1-3-11-7-14-12(17-11)8-13-5-10-6-15-16(4-2)9-10/h4,6-7,9,13H,2-3,5,8H2,1H3
InChIKeyOPTFCYOPDBNHQM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.82
Rot. Bonds6

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

1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 107095512) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID107095512
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESC=Cn1cc(CNCc2ncc(CC)o2)cn1
InChIInChI=1S/C12H16N4O/c1-3-11-7-14-12(17-11)8-13-5-10-6-15-16(4-2)9-10/h4,6-7,9,13H,2-3,5,8H2,1H3
InChIKeyOPTFCYOPDBNHQM-UHFFFAOYSA-N
XLogP1.82
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 103275149
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 106936741
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 103275184
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 106371023
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 103275232
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 104889468
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 104969494
1-(3,4-difluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275334
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106371299
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 107095512) is 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is C=Cn1cc(CNCc2ncc(CC)o2)cn1.
What is the InChIKey of 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is OPTFCYOPDBNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-11-7-14-12(17-11)8-13-5-10-6-15-16(4-2)9-10/h4,6-7,9,13H,2-3,5,8H2,1H3.
What are the key properties of 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 107095512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).