N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide

C17H15N3O3 — CID 831341

IUPACN-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(NC(C)=O)cc3o2)cc1
InChIInChI=1S/C17H15N3O3/c1-10(21)18-13-5-3-12(4-6-13)17-20-15-8-7-14(19-11(2)22)9-16(15)23-17/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKeyYSGXXYJFHRXIBR-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.41
Rot. Bonds3

About N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide

N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 831341) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID831341
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(NC(C)=O)cc3o2)cc1
InChIInChI=1S/C17H15N3O3/c1-10(21)18-13-5-3-12(4-6-13)17-20-15-8-7-14(19-11(2)22)9-16(15)23-17/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKeyYSGXXYJFHRXIBR-UHFFFAOYSA-N
XLogP3.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 831341) is N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccc(NC(C)=O)cc3o2)cc1.
What is the InChIKey of N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is YSGXXYJFHRXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10(21)18-13-5-3-12(4-6-13)17-20-15-8-7-14(19-11(2)22)9-16(15)23-17/h3-9H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide?
N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 831341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).