6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide

C20H20ClN3O3 — CID 42630663

IUPAC6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)C)cn1
InChIInChI=1S/C20H20ClN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyQXXHRDARSLCBQO-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.42
Rot. Bonds6

About 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide

6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 42630663) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID42630663
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)C)cn1
InChIInChI=1S/C20H20ClN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyQXXHRDARSLCBQO-UHFFFAOYSA-N
XLogP4.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide (CID 42630663) is 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide is Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)C)cn1.
What is the InChIKey of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QXXHRDARSLCBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25).
What are the key properties of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide?
6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42630663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).