N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide

C18H15FN2O3 — CID 166392291

IUPACN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
SMILESCN(OCc1coc(-c2cccc(F)c2)n1)C(=O)c1ccccc1
InChIInChI=1S/C18H15FN2O3/c1-21(18(22)13-6-3-2-4-7-13)24-12-16-11-23-17(20-16)14-8-5-9-15(19)10-14/h2-11H,12H2,1H3
InChIKeyGNZZUIZYASSGDL-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.68
Rot. Bonds5

About N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide (PubChem CID 166392291) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
PubChem CID166392291
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
SMILESCN(OCc1coc(-c2cccc(F)c2)n1)C(=O)c1ccccc1
InChIInChI=1S/C18H15FN2O3/c1-21(18(22)13-6-3-2-4-7-13)24-12-16-11-23-17(20-16)14-8-5-9-15(19)10-14/h2-11H,12H2,1H3
InChIKeyGNZZUIZYASSGDL-UHFFFAOYSA-N
XLogP3.68
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392327
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62016330
N-benzyl-2-ethoxy-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56675601
(2R)-2-(3-fluorophenyl)-2-[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetamide
CID 95900005
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid
CID 79272513
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid
CID 79269730
N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
CID 60523533
3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile
CID 86931123
methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241347
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide (CID 166392291) is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide is CN(OCc1coc(-c2cccc(F)c2)n1)C(=O)c1ccccc1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide?
The InChIKey is GNZZUIZYASSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-21(18(22)13-6-3-2-4-7-13)24-12-16-11-23-17(20-16)14-8-5-9-15(19)10-14/h2-11H,12H2,1H3.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide?
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide has a molecular weight of 326.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide is sourced from PubChem (CID 166392291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).