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

C18H17N3O3 — CID 4880121

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-17(13(2)24-21-12)11-23-16-7-5-14(6-8-16)18(22)20-15-4-3-9-19-10-15/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeySBPVYXMOADINEL-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.52
Rot. Bonds5

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 4880121) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID4880121
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-17(13(2)24-21-12)11-23-16-7-5-14(6-8-16)18(22)20-15-4-3-9-19-10-15/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeySBPVYXMOADINEL-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide (CID 4880121) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is SBPVYXMOADINEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-17(13(2)24-21-12)11-23-16-7-5-14(6-8-16)18(22)20-15-4-3-9-19-10-15/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-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 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 4880121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).