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

C22H23FN2O4 — CID 22221453

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C22H23FN2O4/c1-27-19-9-3-15(13-20(19)28-2)11-12-24-21(26)10-6-17-14-25-29-22(17)16-4-7-18(23)8-5-16/h3-5,7-9,13-14H,6,10-12H2,1-2H3,(H,24,26)
InChIKeyTZCAHWVUFZDOKG-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.79
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 22221453) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID22221453
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C22H23FN2O4/c1-27-19-9-3-15(13-20(19)28-2)11-12-24-21(26)10-6-17-14-25-29-22(17)16-4-7-18(23)8-5-16/h3-5,7-9,13-14H,6,10-12H2,1-2H3,(H,24,26)
InChIKeyTZCAHWVUFZDOKG-UHFFFAOYSA-N
XLogP3.79
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 9270126
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9270064
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(pyridin-4-ylmethyl)propanamide;2,2,2-trifluoroacetic acid
CID 22221415
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760289
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 22221453) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is COc1ccc(CCNC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is TZCAHWVUFZDOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-27-19-9-3-15(13-20(19)28-2)11-12-24-21(26)10-6-17-14-25-29-22(17)16-4-7-18(23)8-5-16/h3-5,7-9,13-14H,6,10-12H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 398.43 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 22221453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).