4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine

C18H14BrClN2O3S — CID 18826709

IUPAC4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2Cl)oc1NC1CC1
InChIInChI=1S/C18H14BrClN2O3S/c19-11-5-9-13(10-6-11)26(23,24)18-17(21-12-7-8-12)25-16(22-18)14-3-1-2-4-15(14)20/h1-6,9-10,12,21H,7-8H2
InChIKeyOJFCVBVBUVKYQE-UHFFFAOYSA-N
MW453.75 g/mol
LogP5.16
Rot. Bonds5

About 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine

4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine (PubChem CID 18826709) has the molecular formula C18H14BrClN2O3S and a molecular weight of 453.75 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine
PubChem CID18826709
Molecular FormulaC18H14BrClN2O3S
Molecular Weight453.75 g/mol
Exact Mass451.96
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2Cl)oc1NC1CC1
InChIInChI=1S/C18H14BrClN2O3S/c19-11-5-9-13(10-6-11)26(23,24)18-17(21-12-7-8-12)25-16(22-18)14-3-1-2-4-15(14)20/h1-6,9-10,12,21H,7-8H2
InChIKeyOJFCVBVBUVKYQE-UHFFFAOYSA-N
XLogP5.16
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine (CID 18826709) is 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2Cl)oc1NC1CC1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine?
The InChIKey is OJFCVBVBUVKYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O3S/c19-11-5-9-13(10-6-11)26(23,24)18-17(21-12-7-8-12)25-16(22-18)14-3-1-2-4-15(14)20/h1-6,9-10,12,21H,7-8H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine has a molecular weight of 453.75 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).