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

C23H24FN3O3 — CID 78834702

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H24FN3O3/c24-19-5-3-18(4-6-19)21-15-25-23(30-21)10-9-22(28)26-20-7-1-17(2-8-20)16-27-11-13-29-14-12-27/h1-8,15H,9-14,16H2,(H,26,28)
InChIKeyDDRJBCYFPLBZEY-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.88
Rot. Bonds7

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 78834702) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID78834702
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H24FN3O3/c24-19-5-3-18(4-6-19)21-15-25-23(30-21)10-9-22(28)26-20-7-1-17(2-8-20)16-27-11-13-29-14-12-27/h1-8,15H,9-14,16H2,(H,26,28)
InChIKeyDDRJBCYFPLBZEY-UHFFFAOYSA-N
XLogP3.88
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 30886674
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 55802153
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17464976
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30839863
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 9029424
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 46511214
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (CID 78834702) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is DDRJBCYFPLBZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-19-5-3-18(4-6-19)21-15-25-23(30-21)10-9-22(28)26-20-7-1-17(2-8-20)16-27-11-13-29-14-12-27/h1-8,15H,9-14,16H2,(H,26,28).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 409.46 g/mol, XLogP of 3.88, 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-[4-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 78834702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).