4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide

C17H13ClFN3O2 — CID 70756021

IUPAC4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H13ClFN3O2/c1-22(17(23)14-5-4-12(18)7-15(14)19)10-13-8-16(21-24-13)11-3-2-6-20-9-11/h2-9H,10H2,1H3
InChIKeyWBLLGGVDNUWNCY-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.80
Rot. Bonds4

About 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide

4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 70756021) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID70756021
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H13ClFN3O2/c1-22(17(23)14-5-4-12(18)7-15(14)19)10-13-8-16(21-24-13)11-3-2-6-20-9-11/h2-9H,10H2,1H3
InChIKeyWBLLGGVDNUWNCY-UHFFFAOYSA-N
XLogP3.80
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325
Cambridge id 6131393
CID 702091
3-(2-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 749183
3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoropyridin-2-yl)-5-methylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 42601151
3-[[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 127047571
3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 626045
5-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
CID 118727347
US20230285377, Example 32
CID 166760951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide (CID 70756021) is 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide is CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is WBLLGGVDNUWNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-22(17(23)14-5-4-12(18)7-15(14)19)10-13-8-16(21-24-13)11-3-2-6-20-9-11/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide?
4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 345.76 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 70756021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).