N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide

C20H19FN2O3 — CID 110415136

IUPACN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2nc(-c3ccc(F)cc3)oc2C)c1
InChIInChI=1S/C20H19FN2O3/c1-13-18(23-20(26-13)14-6-8-16(21)9-7-14)10-11-22-19(24)15-4-3-5-17(12-15)25-2/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyVKYLXQGZDVJZJY-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.77
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide

N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide (PubChem CID 110415136) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide
PubChem CID110415136
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2nc(-c3ccc(F)cc3)oc2C)c1
InChIInChI=1S/C20H19FN2O3/c1-13-18(23-20(26-13)14-6-8-16(21)9-7-14)10-11-22-19(24)15-4-3-5-17(12-15)25-2/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyVKYLXQGZDVJZJY-UHFFFAOYSA-N
XLogP3.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415245
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
CID 110641185
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide
CID 110641153
2,6-dimethoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641191
3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146122787
3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
2-chloro-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641199
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
CID 110641138

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide (CID 110415136) is N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCc2nc(-c3ccc(F)cc3)oc2C)c1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide?
The InChIKey is VKYLXQGZDVJZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-13-18(23-20(26-13)14-6-8-16(21)9-7-14)10-11-22-19(24)15-4-3-5-17(12-15)25-2/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide?
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide has a molecular weight of 354.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 110415136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).