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

C24H20ClN3O2 — CID 69007145

IUPACN-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)N(c1ccccc1Cl)c1onc(-c2cccc(C)c2C)c1-c1ccncc1
InChIInChI=1S/C24H20ClN3O2/c1-15-7-6-8-19(16(15)2)23-22(18-11-13-26-14-12-18)24(30-27-23)28(17(3)29)21-10-5-4-9-20(21)25/h4-14H,1-3H3
InChIKeyPXOOLXNRIRYWRX-UHFFFAOYSA-N
MW417.90 g/mol
LogP6.36
Rot. Bonds4

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

N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 69007145) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID69007145
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)N(c1ccccc1Cl)c1onc(-c2cccc(C)c2C)c1-c1ccncc1
InChIInChI=1S/C24H20ClN3O2/c1-15-7-6-8-19(16(15)2)23-22(18-11-13-26-14-12-18)24(30-27-23)28(17(3)29)21-10-5-4-9-20(21)25/h4-14H,1-3H3
InChIKeyPXOOLXNRIRYWRX-UHFFFAOYSA-N
XLogP6.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide (CID 69007145) is N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide is CC(=O)N(c1ccccc1Cl)c1onc(-c2cccc(C)c2C)c1-c1ccncc1.
What is the InChIKey of N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is PXOOLXNRIRYWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-15-7-6-8-19(16(15)2)23-22(18-11-13-26-14-12-18)24(30-27-23)28(17(3)29)21-10-5-4-9-20(21)25/h4-14H,1-3H3.
What are the key properties of N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 417.90 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 69007145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).