2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide

C20H15N3O2 — CID 649646

IUPAC2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C20H15N3O2/c24-19(12-14-4-2-1-3-5-14)22-16-6-7-18-17(13-16)23-20(25-18)15-8-10-21-11-9-15/h1-11,13H,12H2,(H,22,24)
InChIKeyXNEOKQUWPKJAPM-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.07
Rot. Bonds4

About 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide

2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 649646) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID649646
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C20H15N3O2/c24-19(12-14-4-2-1-3-5-14)22-16-6-7-18-17(13-16)23-20(25-18)15-8-10-21-11-9-15/h1-11,13H,12H2,(H,22,24)
InChIKeyXNEOKQUWPKJAPM-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (CID 649646) is 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is XNEOKQUWPKJAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19(12-14-4-2-1-3-5-14)22-16-6-7-18-17(13-16)23-20(25-18)15-8-10-21-11-9-15/h1-11,13H,12H2,(H,22,24).
What are the key properties of 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 649646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).