4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine

C19H19ClN2O3S — CID 3446936

IUPAC4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
SMILESCCC(C)Nc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19ClN2O3S/c1-3-13(2)21-18-19(26(23,24)16-7-5-4-6-8-16)22-17(25-18)14-9-11-15(20)12-10-14/h4-13,21H,3H2,1-2H3
InChIKeyAHHYYSZRITVAQW-UHFFFAOYSA-N
MW390.89 g/mol
LogP5.04
Rot. Bonds6

About 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine (PubChem CID 3446936) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
PubChem CID3446936
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
SMILESCCC(C)Nc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19ClN2O3S/c1-3-13(2)21-18-19(26(23,24)16-7-5-4-6-8-16)22-17(25-18)14-9-11-15(20)12-10-14/h4-13,21H,3H2,1-2H3
InChIKeyAHHYYSZRITVAQW-UHFFFAOYSA-N
XLogP5.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.89
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine (CID 3446936) is 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine is CCC(C)Nc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine?
The InChIKey is AHHYYSZRITVAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-3-13(2)21-18-19(26(23,24)16-7-5-4-6-8-16)22-17(25-18)14-9-11-15(20)12-10-14/h4-13,21H,3H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine has a molecular weight of 390.89 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 3446936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).