(5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole

C16H12N4O2S — CID 123793383

IUPAC(5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
SMILESC1=C(Oc2cncnc2)NO[C@@H]1c1ccc(-c2cccnc2)s1
InChIInChI=1S/C16H12N4O2S/c1-2-11(7-17-5-1)14-3-4-15(23-14)13-6-16(20-22-13)21-12-8-18-10-19-9-12/h1-10,13,20H/t13-/m0/s1
InChIKeyXLJQCZGYMZEIMF-ZDUSSCGKSA-N
MW324.37 g/mol
LogP3.10
Rot. Bonds4

About (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole

(5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole (PubChem CID 123793383) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
PubChem CID123793383
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name(5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
SMILESC1=C(Oc2cncnc2)NO[C@@H]1c1ccc(-c2cccnc2)s1
InChIInChI=1S/C16H12N4O2S/c1-2-11(7-17-5-1)14-3-4-15(23-14)13-6-16(20-22-13)21-12-8-18-10-19-9-12/h1-10,13,20H/t13-/m0/s1
InChIKeyXLJQCZGYMZEIMF-ZDUSSCGKSA-N
XLogP3.10
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole (CID 123793383) is (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole is C1=C(Oc2cncnc2)NO[C@@H]1c1ccc(-c2cccnc2)s1.
What is the InChIKey of (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The InChIKey is XLJQCZGYMZEIMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-2-11(7-17-5-1)14-3-4-15(23-14)13-6-16(20-22-13)21-12-8-18-10-19-9-12/h1-10,13,20H/t13-/m0/s1.
What are the key properties of (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
(5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole has a molecular weight of 324.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(5-pyridin-3-ylthiophen-2-yl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123793383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).