(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide

C19H13Cl2N3O3S — CID 71662424

IUPAC(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3nccs3)nc2c1
InChIInChI=1S/C19H13Cl2N3O3S/c1-10(26-15-4-2-3-12(20)16(15)21)17(25)23-11-5-6-14-13(9-11)24-18(27-14)19-22-7-8-28-19/h2-10H,1H3,(H,23,25)/t10-/m0/s1
InChIKeyBNOKIFBZSXYOCT-JTQLQIEISA-N
MW434.30 g/mol
LogP5.66
Rot. Bonds5

About (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide

(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 71662424) has the molecular formula C19H13Cl2N3O3S and a molecular weight of 434.30 g/mol. Its IUPAC name is (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID71662424
Molecular FormulaC19H13Cl2N3O3S
Molecular Weight434.30 g/mol
Exact Mass433.01
IUPAC Name(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3nccs3)nc2c1
InChIInChI=1S/C19H13Cl2N3O3S/c1-10(26-15-4-2-3-12(20)16(15)21)17(25)23-11-5-6-14-13(9-11)24-18(27-14)19-22-7-8-28-19/h2-10H,1H3,(H,23,25)/t10-/m0/s1
InChIKeyBNOKIFBZSXYOCT-JTQLQIEISA-N
XLogP5.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
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
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296649
2-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296650
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674
2-(2,4-dichlorophenoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817441
2-(2,3-dichlorophenoxy)-N-quinolin-3-ylpropanamide
CID 46453335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide (CID 71662424) is (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide is C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3nccs3)nc2c1.
What is the InChIKey of (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is BNOKIFBZSXYOCT-JTQLQIEISA-N. The full InChI is InChI=1S/C19H13Cl2N3O3S/c1-10(26-15-4-2-3-12(20)16(15)21)17(25)23-11-5-6-14-13(9-11)24-18(27-14)19-22-7-8-28-19/h2-10H,1H3,(H,23,25)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide?
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 434.30 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 71662424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).