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

C21H16ClN3O3 — CID 662539

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl
InChIInChI=1S/C21H16ClN3O3/c1-13-10-16(3-4-17(13)22)27-12-20(26)24-15-2-5-19-18(11-15)25-21(28-19)14-6-8-23-9-7-14/h2-11H,12H2,1H3,(H,24,26)
InChIKeyAOJXJQCEZQFXHP-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.87
Rot. Bonds5

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

2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 662539) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID662539
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl
InChIInChI=1S/C21H16ClN3O3/c1-13-10-16(3-4-17(13)22)27-12-20(26)24-15-2-5-19-18(11-15)25-21(28-19)14-6-8-23-9-7-14/h2-11H,12H2,1H3,(H,24,26)
InChIKeyAOJXJQCEZQFXHP-UHFFFAOYSA-N
XLogP4.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (CID 662539) is 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is AOJXJQCEZQFXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-13-10-16(3-4-17(13)22)27-12-20(26)24-15-2-5-19-18(11-15)25-21(28-19)14-6-8-23-9-7-14/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 393.83 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 662539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).