N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C19H16ClFN2O3 — CID 9146267

IUPACN-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C19H16ClFN2O3/c1-11-15(12(2)26-23-11)10-25-14-6-3-5-13(9-14)19(24)22-17-8-4-7-16(20)18(17)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyALDKIVXQAUYQAG-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.92
Rot. Bonds5

About N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 9146267) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID9146267
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC NameN-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C19H16ClFN2O3/c1-11-15(12(2)26-23-11)10-25-14-6-3-5-13(9-14)19(24)22-17-8-4-7-16(20)18(17)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyALDKIVXQAUYQAG-UHFFFAOYSA-N
XLogP4.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 51208668
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methoxymethyl)phenyl]benzamide
CID 55714868
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46523131
N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189
N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29216339
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
CID 29409481
methyl 2-chloro-5-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 38236289
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275053
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46455012
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 4553173
N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55763182

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 9146267) is N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(Cl)c2F)c1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is ALDKIVXQAUYQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-11-15(12(2)26-23-11)10-25-14-6-3-5-13(9-14)19(24)22-17-8-4-7-16(20)18(17)21/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 374.80 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 9146267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).