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

C23H30FN3O3 — CID 46511214

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C23H30FN3O3/c24-19-6-4-18(5-7-19)20-16-25-22(30-20)9-8-21(28)26-17-23(10-2-1-3-11-23)27-12-14-29-15-13-27/h4-7,16H,1-3,8-15,17H2,(H,26,28)
InChIKeyNJGLMLLLEVZQHO-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.56
Rot. Bonds7

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 46511214) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID46511214
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C23H30FN3O3/c24-19-6-4-18(5-7-19)20-16-25-22(30-20)9-8-21(28)26-17-23(10-2-1-3-11-23)27-12-14-29-15-13-27/h4-7,16H,1-3,8-15,17H2,(H,26,28)
InChIKeyNJGLMLLLEVZQHO-UHFFFAOYSA-N
XLogP3.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 46511214) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is NJGLMLLLEVZQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c24-19-6-4-18(5-7-19)20-16-25-22(30-20)9-8-21(28)26-17-23(10-2-1-3-11-23)27-12-14-29-15-13-27/h4-7,16H,1-3,8-15,17H2,(H,26,28).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 415.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 46511214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).