2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide

C17H19BrN2O2S — CID 50775705

IUPAC2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSc1ncc(-c2cccc(Br)c2)o1)NC1CCCCC1
InChIInChI=1S/C17H19BrN2O2S/c18-13-6-4-5-12(9-13)15-10-19-17(22-15)23-11-16(21)20-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11H2,(H,20,21)
InChIKeyPYTPLKDVFXHZCS-UHFFFAOYSA-N
MW395.32 g/mol
LogP4.65
Rot. Bonds5

About 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide

2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide (PubChem CID 50775705) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide
PubChem CID50775705
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSc1ncc(-c2cccc(Br)c2)o1)NC1CCCCC1
InChIInChI=1S/C17H19BrN2O2S/c18-13-6-4-5-12(9-13)15-10-19-17(22-15)23-11-16(21)20-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11H2,(H,20,21)
InChIKeyPYTPLKDVFXHZCS-UHFFFAOYSA-N
XLogP4.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide (CID 50775705) is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide is O=C(CSc1ncc(-c2cccc(Br)c2)o1)NC1CCCCC1.
What is the InChIKey of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The InChIKey is PYTPLKDVFXHZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c18-13-6-4-5-12(9-13)15-10-19-17(22-15)23-11-16(21)20-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11H2,(H,20,21).
What are the key properties of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide has a molecular weight of 395.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 50775705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).