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

C21H16ClN3O2 — CID 73296653

IUPAC2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1
InChIInChI=1S/C21H16ClN3O2/c1-13(15-3-2-4-16(22)11-15)20(26)24-17-5-6-19-18(12-17)25-21(27-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26)
InChIKeyXQNYFJAYHGBCHG-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.29
Rot. Bonds4

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

2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 73296653) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID73296653
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1
InChIInChI=1S/C21H16ClN3O2/c1-13(15-3-2-4-16(22)11-15)20(26)24-17-5-6-19-18(12-17)25-21(27-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26)
InChIKeyXQNYFJAYHGBCHG-UHFFFAOYSA-N
XLogP5.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662588
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
2-methyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide
CID 6457333
(2S)-2-(naphthalen-1-ylamino)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662776
(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296650
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296649
N-[2-(5-chloro-2-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 67332100
5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090
(2S)-2-[4-chloro-3-(fluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 122543981
2,4-dichloro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127512
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 73296653) is 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is CC(C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is XQNYFJAYHGBCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-13(15-3-2-4-16(22)11-15)20(26)24-17-5-6-19-18(12-17)25-21(27-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26).
What are the key properties of 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 377.83 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 73296653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).