N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C24H25F2N3O3 — CID 32929347

IUPACN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NC[C@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C24H25F2N3O3/c25-18-7-5-17(6-8-18)21(29-11-13-31-14-12-29)15-27-23(30)9-10-24-28-16-22(32-24)19-3-1-2-4-20(19)26/h1-8,16,21H,9-15H2,(H,27,30)/t21-/m1/s1
InChIKeyYAGMMFZOYSIOCM-OAQYLSRUSA-N
MW441.48 g/mol
LogP3.74
Rot. Bonds8

About N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 32929347) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID32929347
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NC[C@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C24H25F2N3O3/c25-18-7-5-17(6-8-18)21(29-11-13-31-14-12-29)15-27-23(30)9-10-24-28-16-22(32-24)19-3-1-2-4-20(19)26/h1-8,16,21H,9-15H2,(H,27,30)/t21-/m1/s1
InChIKeyYAGMMFZOYSIOCM-OAQYLSRUSA-N
XLogP3.74
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
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N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-fluorophenyl)sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 32929347) is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@H](c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is YAGMMFZOYSIOCM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c25-18-7-5-17(6-8-18)21(29-11-13-31-14-12-29)15-27-23(30)9-10-24-28-16-22(32-24)19-3-1-2-4-20(19)26/h1-8,16,21H,9-15H2,(H,27,30)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 441.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 32929347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).