2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole

C14H12ClN3OS — CID 166332484

IUPAC2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole
SMILESCn1nc(CSc2ncc(-c3ccccc3)o2)cc1Cl
InChIInChI=1S/C14H12ClN3OS/c1-18-13(15)7-11(17-18)9-20-14-16-8-12(19-14)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyGINMROYLAAJXDR-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.02
Rot. Bonds4

About 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole

2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole (PubChem CID 166332484) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole
PubChem CID166332484
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole
SMILESCn1nc(CSc2ncc(-c3ccccc3)o2)cc1Cl
InChIInChI=1S/C14H12ClN3OS/c1-18-13(15)7-11(17-18)9-20-14-16-8-12(19-14)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyGINMROYLAAJXDR-UHFFFAOYSA-N
XLogP4.02
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole (CID 166332484) is 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole is Cn1nc(CSc2ncc(-c3ccccc3)o2)cc1Cl.
What is the InChIKey of 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole?
The InChIKey is GINMROYLAAJXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-18-13(15)7-11(17-18)9-20-14-16-8-12(19-14)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole?
2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole has a molecular weight of 305.79 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 166332484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).