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

C20H17FN6O3 — CID 55813794

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1
InChIInChI=1S/C20H17FN6O3/c1-12-17(13(2)30-24-12)10-29-16-6-3-14(4-7-16)20(28)23-19-9-15(5-8-18(19)21)27-11-22-25-26-27/h3-9,11H,10H2,1-2H3,(H,23,28)
InChIKeyXRDWYJSKNPWPGE-UHFFFAOYSA-N
MW408.39 g/mol
LogP3.24
Rot. Bonds6

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 55813794) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
PubChem CID55813794
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1
InChIInChI=1S/C20H17FN6O3/c1-12-17(13(2)30-24-12)10-29-16-6-3-14(4-7-16)20(28)23-19-9-15(5-8-18(19)21)27-11-22-25-26-27/h3-9,11H,10H2,1-2H3,(H,23,28)
InChIKeyXRDWYJSKNPWPGE-UHFFFAOYSA-N
XLogP3.24
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 34548815
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-fluoro-5-methylphenyl)benzamide
CID 34233334
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 9209133
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51090541
methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-fluorobenzoate
CID 30469213
N-(2-chloro-4-methylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 7926596
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887040
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55812153
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29097837
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 8007252
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide (CID 55813794) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is XRDWYJSKNPWPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-12-17(13(2)30-24-12)10-29-16-6-3-14(4-7-16)20(28)23-19-9-15(5-8-18(19)21)27-11-22-25-26-27/h3-9,11H,10H2,1-2H3,(H,23,28).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 408.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55813794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).