(2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C21H15Cl2N3O3 — CID 71662081

IUPAC(2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
InChIKeyHRXGXBGJVNUGSX-LBPRGKRZSA-N
MW428.28 g/mol
LogP5.60
Rot. Bonds5

About (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

(2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 71662081) has the molecular formula C21H15Cl2N3O3 and a molecular weight of 428.28 g/mol. Its IUPAC name is (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID71662081
Molecular FormulaC21H15Cl2N3O3
Molecular Weight428.28 g/mol
Exact Mass427.05
IUPAC Name(2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
InChIKeyHRXGXBGJVNUGSX-LBPRGKRZSA-N
XLogP5.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.28
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-(2,3-Dichlorophenyl)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]-L-Alaninamide
CID 71662775
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(4-pyridyl)-1,3-benzoxazol-6-yl]propanamide
CID 71662779
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662589
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 960374
3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
CID 659689
2-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 659778
2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
CID 662539
3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699259
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 878309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 71662081) is (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is HRXGXBGJVNUGSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1.
What are the key properties of (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
(2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 428.28 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 71662081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).