N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide

C23H17N3O2 — CID 15603614

IUPACN-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc3ccccc3o2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C23H17N3O2/c1-14(27)25-17-12-15(18-5-4-7-20-19(18)9-10-24-20)11-16(13-17)23-26-21-6-2-3-8-22(21)28-23/h2-13,24H,1H3,(H,25,27)
InChIKeyDNYXYWMPEYVJEP-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.60
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide

N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide (PubChem CID 15603614) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
PubChem CID15603614
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc3ccccc3o2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C23H17N3O2/c1-14(27)25-17-12-15(18-5-4-7-20-19(18)9-10-24-20)11-16(13-17)23-26-21-6-2-3-8-22(21)28-23/h2-13,24H,1H3,(H,25,27)
InChIKeyDNYXYWMPEYVJEP-UHFFFAOYSA-N
XLogP5.60
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide (CID 15603614) is N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide is CC(=O)Nc1cc(-c2nc3ccccc3o2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide?
The InChIKey is DNYXYWMPEYVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-14(27)25-17-12-15(18-5-4-7-20-19(18)9-10-24-20)11-16(13-17)23-26-21-6-2-3-8-22(21)28-23/h2-13,24H,1H3,(H,25,27).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide?
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide is sourced from PubChem (CID 15603614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).