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

C17H16N4O2 — CID 29151725

IUPACN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCN(Cc1ccon1)Cc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C17H16N4O2/c1-21(11-14-6-7-22-20-14)10-13-9-18-19-17(13)16-8-12-4-2-3-5-15(12)23-16/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyTWARBAPYNKGLJX-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.44
Rot. Bonds5

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

N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 29151725) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
PubChem CID29151725
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCN(Cc1ccon1)Cc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C17H16N4O2/c1-21(11-14-6-7-22-20-14)10-13-9-18-19-17(13)16-8-12-4-2-3-5-15(12)23-16/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyTWARBAPYNKGLJX-UHFFFAOYSA-N
XLogP3.44
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine with MolForge

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Related Compounds

N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
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N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 47611099
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 25285777
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 45214672
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 166180902
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 42290992
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772872
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 84592656
2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol
CID 56709649
ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate
CID 42527129
[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 45220394
1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 86808888

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (CID 29151725) is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is CN(Cc1ccon1)Cc1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is TWARBAPYNKGLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21(11-14-6-7-22-20-14)10-13-9-18-19-17(13)16-8-12-4-2-3-5-15(12)23-16/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 308.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 29151725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).