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

C22H17ClN2O3 — CID 46230624

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C22H17ClN2O3/c23-17-8-11-20-19(12-17)25-22(28-20)16-6-9-18(10-7-16)24-21(26)14-27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyRBUNTUUUGLZXFF-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.30
Rot. Bonds6

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

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide (PubChem CID 46230624) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide
PubChem CID46230624
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C22H17ClN2O3/c23-17-8-11-20-19(12-17)25-22(28-20)16-6-9-18(10-7-16)24-21(26)14-27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyRBUNTUUUGLZXFF-UHFFFAOYSA-N
XLogP5.30
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.30
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-phenylmethoxyacetamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide (CID 46230624) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide?
The InChIKey is RBUNTUUUGLZXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-17-8-11-20-19(12-17)25-22(28-20)16-6-9-18(10-7-16)24-21(26)14-27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-phenylmethoxyacetamide has a molecular weight of 392.84 g/mol, XLogP of 5.30, 6 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-phenylmethoxyacetamide is sourced from PubChem (CID 46230624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).