(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

C22H16Cl2N2O3 — CID 118259642

IUPAC(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H16Cl2N2O3/c1-13(28-19-9-5-8-16(23)20(19)24)21(27)25-15-10-11-18-17(12-15)26-22(29-18)14-6-3-2-4-7-14/h2-13H,1H3,(H,25,27)/t13-/m1/s1
InChIKeyAQSMBVKWVWTUOJ-CYBMUJFWSA-N
MW427.29 g/mol
LogP6.21
Rot. Bonds5

About (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 118259642) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID118259642
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC Name(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H16Cl2N2O3/c1-13(28-19-9-5-8-16(23)20(19)24)21(27)25-15-10-11-18-17(12-15)26-22(29-18)14-6-3-2-4-7-14/h2-13H,1H3,(H,25,27)/t13-/m1/s1
InChIKeyAQSMBVKWVWTUOJ-CYBMUJFWSA-N
XLogP6.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259645
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide
CID 71662424
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296649
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674
2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17172262
(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (CID 118259642) is (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is AQSMBVKWVWTUOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-13(28-19-9-5-8-16(23)20(19)24)21(27)25-15-10-11-18-17(12-15)26-22(29-18)14-6-3-2-4-7-14/h2-13H,1H3,(H,25,27)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 427.29 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 118259642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).