(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

C22H17ClN2O3 — CID 118259676

IUPAC(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H17ClN2O3/c1-14(27-19-10-6-5-9-17(19)23)21(26)24-16-11-12-20-18(13-16)25-22(28-20)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyJDJZZJOJHBPNQQ-AWEZNQCLSA-N
MW392.84 g/mol
LogP5.55
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 118259676) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID118259676
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H17ClN2O3/c1-14(27-19-10-6-5-9-17(19)23)21(26)24-16-11-12-20-18(13-16)25-22(28-20)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyJDJZZJOJHBPNQQ-AWEZNQCLSA-N
XLogP5.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.55
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
(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-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259645
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
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)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296649
(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 (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (CID 118259676) is (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is JDJZZJOJHBPNQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-14(27-19-10-6-5-9-17(19)23)21(26)24-16-11-12-20-18(13-16)25-22(28-20)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,26)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 392.84 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 118259676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).