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

C21H16ClN3O3 — CID 71661724

IUPAC2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26)
InChIKeyYPKWKVVZCNHBFI-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.95
Rot. Bonds5

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

2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 71661724) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID71661724
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26)
InChIKeyYPKWKVVZCNHBFI-UHFFFAOYSA-N
XLogP4.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
(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
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
(2S)-2-[4-chloro-3-(fluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 122543981
2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17172262
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide
CID 71662424
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662588

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 71661724) is 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is YPKWKVVZCNHBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 393.83 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 71661724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).