(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide

C22H17ClN2O3 — CID 9323078

IUPAC(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-14(27-18-6-4-5-16(23)13-18)21(26)24-17-11-9-15(10-12-17)22-25-19-7-2-3-8-20(19)28-22/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyBRPDFLPJGLMBEL-AWEZNQCLSA-N
MW392.84 g/mol
LogP5.55
Rot. Bonds5

About (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide

(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide (PubChem CID 9323078) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
PubChem CID9323078
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-14(27-18-6-4-5-16(23)13-18)21(26)24-17-11-9-15(10-12-17)22-25-19-7-2-3-8-20(19)28-22/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyBRPDFLPJGLMBEL-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

(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 9349857
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17172262
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280162
2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 17359912
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280164
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
CID 2900094
N-[4-[1-[4-(1,3-benzoxazol-2-yl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]-3-chlorobenzamide
CID 21168101

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide?
The IUPAC name of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide (CID 9323078) is (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide?
The InChIKey is BRPDFLPJGLMBEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-14(27-18-6-4-5-16(23)13-18)21(26)24-17-11-9-15(10-12-17)22-25-19-7-2-3-8-20(19)28-22/h2-14H,1H3,(H,24,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide?
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)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)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 9323078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).