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

C20H14ClN3O2 — CID 1069526

IUPAC2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C20H14ClN3O2/c21-15-3-1-13(2-4-15)11-19(25)23-16-5-6-18-17(12-16)24-20(26-18)14-7-9-22-10-8-14/h1-10,12H,11H2,(H,23,25)
InChIKeyIIDRDWMBFNDXAC-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.72
Rot. Bonds4

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

2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 1069526) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID1069526
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C20H14ClN3O2/c21-15-3-1-13(2-4-15)11-19(25)23-16-5-6-18-17(12-16)24-20(26-18)14-7-9-22-10-8-14/h1-10,12H,11H2,(H,23,25)
InChIKeyIIDRDWMBFNDXAC-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (CID 1069526) is 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is IIDRDWMBFNDXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-15-3-1-13(2-4-15)11-19(25)23-16-5-6-18-17(12-16)24-20(26-18)14-7-9-22-10-8-14/h1-10,12H,11H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 363.80 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 1069526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).