2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole

C10H8ClNO3S — CID 167434977

IUPAC2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2coc(Cl)n2)cc1
InChIInChI=1S/C10H8ClNO3S/c1-7-2-4-8(5-3-7)16(13,14)9-6-15-10(11)12-9/h2-6H,1H3
InChIKeyAZCNUOMLNSYDGD-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.47
Rot. Bonds2

About 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole

2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 167434977) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID167434977
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2coc(Cl)n2)cc1
InChIInChI=1S/C10H8ClNO3S/c1-7-2-4-8(5-3-7)16(13,14)9-6-15-10(11)12-9/h2-6H,1H3
InChIKeyAZCNUOMLNSYDGD-UHFFFAOYSA-N
XLogP2.47
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 167434977) is 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole is Cc1ccc(S(=O)(=O)c2coc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is AZCNUOMLNSYDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c1-7-2-4-8(5-3-7)16(13,14)9-6-15-10(11)12-9/h2-6H,1H3.
What are the key properties of 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 257.70 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 167434977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).