N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide

C17H15ClN2O3 — CID 90652781

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide
SMILESO=C(NCCc1nc2ccccc2o1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3/c18-12-7-5-11(6-8-12)16(21)17(22)19-10-9-15-20-13-3-1-2-4-14(13)23-15/h1-8,16,21H,9-10H2,(H,19,22)
InChIKeyFUSIYAPVKHURAD-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide (PubChem CID 90652781) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide
PubChem CID90652781
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide
SMILESO=C(NCCc1nc2ccccc2o1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3/c18-12-7-5-11(6-8-12)16(21)17(22)19-10-9-15-20-13-3-1-2-4-14(13)23-15/h1-8,16,21H,9-10H2,(H,19,22)
InChIKeyFUSIYAPVKHURAD-UHFFFAOYSA-N
XLogP2.87
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide (CID 90652781) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide is O=C(NCCc1nc2ccccc2o1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide?
The InChIKey is FUSIYAPVKHURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-12-7-5-11(6-8-12)16(21)17(22)19-10-9-15-20-13-3-1-2-4-14(13)23-15/h1-8,16,21H,9-10H2,(H,19,22).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide has a molecular weight of 330.77 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 90652781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).