(2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C21H15Cl2N3O2 — CID 71661543

IUPAC(2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H15Cl2N3O2/c1-12(15-3-2-4-16(22)19(15)23)20(27)25-14-5-6-18-17(11-14)26-21(28-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m1/s1
InChIKeyUNABWOXPZHNXFV-GFCCVEGCSA-N
MW412.28 g/mol
LogP5.94
Rot. Bonds4

About (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

(2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 71661543) has the molecular formula C21H15Cl2N3O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID71661543
Molecular FormulaC21H15Cl2N3O2
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name(2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H15Cl2N3O2/c1-12(15-3-2-4-16(22)19(15)23)20(27)25-14-5-6-18-17(11-14)26-21(28-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m1/s1
InChIKeyUNABWOXPZHNXFV-GFCCVEGCSA-N
XLogP5.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 71661543) is (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is C[C@@H](C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1Cl.
What is the InChIKey of (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is UNABWOXPZHNXFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2/c1-12(15-3-2-4-16(22)19(15)23)20(27)25-14-5-6-18-17(11-14)26-21(28-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
(2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 412.28 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 71661543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).