2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide

C26H25N3O5 — CID 43069775

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1OCc1cccnc1
InChIInChI=1S/C26H25N3O5/c1-17-22(18(2)34-29-17)16-33-23-9-5-4-8-21(23)26(30)28-20-10-11-24(31-3)25(13-20)32-15-19-7-6-12-27-14-19/h4-14H,15-16H2,1-3H3,(H,28,30)
InChIKeyRHRAXVJHQKQTGN-UHFFFAOYSA-N
MW459.50 g/mol
LogP5.11
Rot. Bonds9

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide (PubChem CID 43069775) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
PubChem CID43069775
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1OCc1cccnc1
InChIInChI=1S/C26H25N3O5/c1-17-22(18(2)34-29-17)16-33-23-9-5-4-8-21(23)26(30)28-20-10-11-24(31-3)25(13-20)32-15-19-7-6-12-27-14-19/h4-14H,15-16H2,1-3H3,(H,28,30)
InChIKeyRHRAXVJHQKQTGN-UHFFFAOYSA-N
XLogP5.11
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43069822
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 38629316
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 112766562
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 38627291
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770635

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide (CID 43069775) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide is COc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1OCc1cccnc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The InChIKey is RHRAXVJHQKQTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-17-22(18(2)34-29-17)16-33-23-9-5-4-8-21(23)26(30)28-20-10-11-24(31-3)25(13-20)32-15-19-7-6-12-27-14-19/h4-14H,15-16H2,1-3H3,(H,28,30).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide has a molecular weight of 459.50 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 43069775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).