(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine

C14H16N4OS — CID 95276861

IUPAC(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1cc(-c2cccs2)on1
InChIInChI=1S/C14H16N4OS/c1-11(10-18-6-3-5-16-18)15-9-12-8-13(19-17-12)14-4-2-7-20-14/h2-8,11,15H,9-10H2,1H3/t11-/m0/s1
InChIKeyKPTKNGBRTJJKKZ-NSHDSACASA-N
MW288.38 g/mol
LogP2.78
Rot. Bonds6

About (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine

(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine (PubChem CID 95276861) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
PubChem CID95276861
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1cc(-c2cccs2)on1
InChIInChI=1S/C14H16N4OS/c1-11(10-18-6-3-5-16-18)15-9-12-8-13(19-17-12)14-4-2-7-20-14/h2-8,11,15H,9-10H2,1H3/t11-/m0/s1
InChIKeyKPTKNGBRTJJKKZ-NSHDSACASA-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 (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine with MolForge

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Related Compounds

(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 95279658
(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
(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95287787
(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95278974
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
CID 95311175
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95158981
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 55032692
(2R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95282283
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307

Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine (CID 95276861) is (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine is C[C@@H](Cn1cccn1)NCc1cc(-c2cccs2)on1.
What is the InChIKey of (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The InChIKey is KPTKNGBRTJJKKZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4OS/c1-11(10-18-6-3-5-16-18)15-9-12-8-13(19-17-12)14-4-2-7-20-14/h2-8,11,15H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine?
(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-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 (2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 95276861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).