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

C18H17N3O3 — CID 35828889

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1ccncc1
InChIInChI=1S/C18H17N3O3/c1-12-16(13(2)24-21-12)11-23-17-6-4-3-5-15(17)18(22)20-14-7-9-19-10-8-14/h3-10H,11H2,1-2H3,(H,19,20,22)
InChIKeyBPNZILWNHKTEBT-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.52
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide (PubChem CID 35828889) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
PubChem CID35828889
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1ccncc1
InChIInChI=1S/C18H17N3O3/c1-12-16(13(2)24-21-12)11-23-17-6-4-3-5-15(17)18(22)20-14-7-9-19-10-8-14/h3-10H,11H2,1-2H3,(H,19,20,22)
InChIKeyBPNZILWNHKTEBT-UHFFFAOYSA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37182358
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 112766562
S-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56532884
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 36859413
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 43069775
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30548406
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 35906655

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide (CID 35828889) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide is Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide?
The InChIKey is BPNZILWNHKTEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-16(13(2)24-21-12)11-23-17-6-4-3-5-15(17)18(22)20-14-7-9-19-10-8-14/h3-10H,11H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide has a molecular weight of 323.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 35828889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).