(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine

C14H16N4OS — CID 95279658

IUPAC(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C14H16N4OS/c1-11(9-18-6-3-5-16-18)15-8-12-10-19-14(17-12)13-4-2-7-20-13/h2-7,10-11,15H,8-9H2,1H3/t11-/m1/s1
InChIKeyKLZFHBYEAWUJOD-LLVKDONJSA-N
MW288.38 g/mol
LogP2.78
Rot. Bonds6

About (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine

(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine (PubChem CID 95279658) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
PubChem CID95279658
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C14H16N4OS/c1-11(9-18-6-3-5-16-18)15-8-12-10-19-14(17-12)13-4-2-7-20-13/h2-7,10-11,15H,8-9H2,1H3/t11-/m1/s1
InChIKeyKLZFHBYEAWUJOD-LLVKDONJSA-N
XLogP2.78
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine with MolForge

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Related Compounds

(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 95276861
(2R)-N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277243
(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95278974
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
1-butan-2-yl-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 110943843
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol
CID 81444859
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307
N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide
CID 42209438
(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277787

Frequently Asked Questions

What is the IUPAC name of (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine (CID 95279658) is (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine is C[C@H](Cn1cccn1)NCc1coc(-c2cccs2)n1.
What is the InChIKey of (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The InChIKey is KLZFHBYEAWUJOD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-11(9-18-6-3-5-16-18)15-8-12-10-19-14(17-12)13-4-2-7-20-13/h2-7,10-11,15H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine?
(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine has a molecular weight of 288.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 95279658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).