(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine

C16H20N4OS — CID 95295096

IUPAC(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2nc(-c3ccsc3)oc2C)c1
InChIInChI=1S/C16H20N4OS/c1-11-6-18-20(8-11)9-12(2)17-7-15-13(3)21-16(19-15)14-4-5-22-10-14/h4-6,8,10,12,17H,7,9H2,1-3H3/t12-/m1/s1
InChIKeyXHAJLVJKXBFXCD-GFCCVEGCSA-N
MW316.43 g/mol
LogP3.39
Rot. Bonds6

About (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine

(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine (PubChem CID 95295096) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
PubChem CID95295096
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2nc(-c3ccsc3)oc2C)c1
InChIInChI=1S/C16H20N4OS/c1-11-6-18-20(8-11)9-12(2)17-7-15-13(3)21-16(19-15)14-4-5-22-10-14/h4-6,8,10,12,17H,7,9H2,1-3H3/t12-/m1/s1
InChIKeyXHAJLVJKXBFXCD-GFCCVEGCSA-N
XLogP3.39
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine (CID 95295096) is (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine is Cc1cnn(C[C@@H](C)NCc2nc(-c3ccsc3)oc2C)c1.
What is the InChIKey of (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The InChIKey is XHAJLVJKXBFXCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-6-18-20(8-11)9-12(2)17-7-15-13(3)21-16(19-15)14-4-5-22-10-14/h4-6,8,10,12,17H,7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine?
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine has a molecular weight of 316.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 95295096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).