N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide

C21H15ClN2O3 — CID 1364626

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C21H15ClN2O3/c22-15-8-11-19-18(12-15)24-21(27-19)14-6-9-16(10-7-14)23-20(25)13-26-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25)
InChIKeyKBUHAHRNTQWANT-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.17
Rot. Bonds5

About N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide (PubChem CID 1364626) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
PubChem CID1364626
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C21H15ClN2O3/c22-15-8-11-19-18(12-15)24-21(27-19)14-6-9-16(10-7-14)23-20(25)13-26-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25)
InChIKeyKBUHAHRNTQWANT-UHFFFAOYSA-N
XLogP5.17
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide (CID 1364626) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is KBUHAHRNTQWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c22-15-8-11-19-18(12-15)24-21(27-19)14-6-9-16(10-7-14)23-20(25)13-26-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 378.82 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1364626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).