2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide

C25H22ClN3O2 — CID 69008115

IUPAC2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide
SMILESCc1cccc(-c2noc(NC(=O)C(C)c3ccccc3Cl)c2-c2ccncc2)c1C
InChIInChI=1S/C25H22ClN3O2/c1-15-7-6-9-20(16(15)2)23-22(18-11-13-27-14-12-18)25(31-29-23)28-24(30)17(3)19-8-4-5-10-21(19)26/h4-14,17H,1-3H3,(H,28,30)
InChIKeyJSBPEOOWNNJUQX-UHFFFAOYSA-N
MW431.92 g/mol
LogP6.42
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide

2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide (PubChem CID 69008115) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide
PubChem CID69008115
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide
SMILESCc1cccc(-c2noc(NC(=O)C(C)c3ccccc3Cl)c2-c2ccncc2)c1C
InChIInChI=1S/C25H22ClN3O2/c1-15-7-6-9-20(16(15)2)23-22(18-11-13-27-14-12-18)25(31-29-23)28-24(30)17(3)19-8-4-5-10-21(19)26/h4-14,17H,1-3H3,(H,28,30)
InChIKeyJSBPEOOWNNJUQX-UHFFFAOYSA-N
XLogP6.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide (CID 69008115) is 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide is Cc1cccc(-c2noc(NC(=O)C(C)c3ccccc3Cl)c2-c2ccncc2)c1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide?
The InChIKey is JSBPEOOWNNJUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-15-7-6-9-20(16(15)2)23-22(18-11-13-27-14-12-18)25(31-29-23)28-24(30)17(3)19-8-4-5-10-21(19)26/h4-14,17H,1-3H3,(H,28,30).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide?
2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide has a molecular weight of 431.92 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 69008115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).