2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide

C21H21Cl2N3O3 — CID 56680137

IUPAC2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(OC(C)C)nc1
InChIInChI=1S/C21H21Cl2N3O3/c1-12(2)28-19-8-7-14(11-25-19)10-24-18(27)9-15-13(3)29-26-21(15)20-16(22)5-4-6-17(20)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,27)
InChIKeyOTVBTSKBMHVGBT-UHFFFAOYSA-N
MW434.32 g/mol
LogP5.00
Rot. Bonds7

About 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide

2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide (PubChem CID 56680137) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
PubChem CID56680137
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(OC(C)C)nc1
InChIInChI=1S/C21H21Cl2N3O3/c1-12(2)28-19-8-7-14(11-25-19)10-24-18(27)9-15-13(3)29-26-21(15)20-16(22)5-4-6-17(20)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,27)
InChIKeyOTVBTSKBMHVGBT-UHFFFAOYSA-N
XLogP5.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide (CID 56680137) is 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide is Cc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(OC(C)C)nc1.
What is the InChIKey of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is OTVBTSKBMHVGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-12(2)28-19-8-7-14(11-25-19)10-24-18(27)9-15-13(3)29-26-21(15)20-16(22)5-4-6-17(20)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,27).
What are the key properties of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 434.32 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 56680137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).