5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole

C15H18ClNO3S — CID 56823231

IUPAC5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole
SMILESCCC(CC)S(=O)(=O)Cc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H18ClNO3S/c1-3-13(4-2)21(18,19)10-15-17-9-14(20-15)11-6-5-7-12(16)8-11/h5-9,13H,3-4,10H2,1-2H3
InChIKeyMQXQKKDVKSCNMR-UHFFFAOYSA-N
MW327.83 g/mol
LogP4.10
Rot. Bonds6

About 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole

5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole (PubChem CID 56823231) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole
PubChem CID56823231
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole
SMILESCCC(CC)S(=O)(=O)Cc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H18ClNO3S/c1-3-13(4-2)21(18,19)10-15-17-9-14(20-15)11-6-5-7-12(16)8-11/h5-9,13H,3-4,10H2,1-2H3
InChIKeyMQXQKKDVKSCNMR-UHFFFAOYSA-N
XLogP4.10
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole (CID 56823231) is 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole is CCC(CC)S(=O)(=O)Cc1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole?
The InChIKey is MQXQKKDVKSCNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-3-13(4-2)21(18,19)10-15-17-9-14(20-15)11-6-5-7-12(16)8-11/h5-9,13H,3-4,10H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole?
5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole has a molecular weight of 327.83 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole is sourced from PubChem (CID 56823231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).