2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole

C10H8ClN3OS — CID 106898500

IUPAC2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESClc1cc(Sc2ncco2)nc(C2CC2)n1
InChIInChI=1S/C10H8ClN3OS/c11-7-5-8(16-10-12-3-4-15-10)14-9(13-7)6-1-2-6/h3-6H,1-2H2
InChIKeyLVPUYINJIKEKIG-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.15
Rot. Bonds3

About 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole

2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 106898500) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID106898500
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESClc1cc(Sc2ncco2)nc(C2CC2)n1
InChIInChI=1S/C10H8ClN3OS/c11-7-5-8(16-10-12-3-4-15-10)14-9(13-7)6-1-2-6/h3-6H,1-2H2
InChIKeyLVPUYINJIKEKIG-UHFFFAOYSA-N
XLogP3.15
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole (CID 106898500) is 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole is Clc1cc(Sc2ncco2)nc(C2CC2)n1.
What is the InChIKey of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is LVPUYINJIKEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-7-5-8(16-10-12-3-4-15-10)14-9(13-7)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 253.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 106898500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).