3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

C20H21N3O4 — CID 30832407

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C20H21N3O4/c1-13-18(14(2)27-23-13)12-26-17-8-4-6-15(10-17)19(24)22-11-16-7-5-9-21-20(16)25-3/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyJSKJFNPCSHLIBZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.20
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 30832407) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID30832407
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C20H21N3O4/c1-13-18(14(2)27-23-13)12-26-17-8-4-6-15(10-17)19(24)22-11-16-7-5-9-21-20(16)25-3/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyJSKJFNPCSHLIBZ-UHFFFAOYSA-N
XLogP3.20
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (CID 30832407) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is COc1ncccc1CNC(=O)c1cccc(OCc2c(C)noc2C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is JSKJFNPCSHLIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-18(14(2)27-23-13)12-26-17-8-4-6-15(10-17)19(24)22-11-16-7-5-9-21-20(16)25-3/h4-10H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 30832407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).