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

C22H23FN2O3 — CID 51312428

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(OC)cc1
InChIInChI=1S/C22H23FN2O3/c1-3-19(15-6-10-18(27-2)11-7-15)25-21(26)12-13-22-24-14-20(28-22)16-4-8-17(23)9-5-16/h4-11,14,19H,3,12-13H2,1-2H3,(H,25,26)
InChIKeyBMHQTQBXWODMAM-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.69
Rot. Bonds8

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide (PubChem CID 51312428) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
PubChem CID51312428
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(OC)cc1
InChIInChI=1S/C22H23FN2O3/c1-3-19(15-6-10-18(27-2)11-7-15)25-21(26)12-13-22-24-14-20(28-22)16-4-8-17(23)9-5-16/h4-11,14,19H,3,12-13H2,1-2H3,(H,25,26)
InChIKeyBMHQTQBXWODMAM-UHFFFAOYSA-N
XLogP4.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 29467289
N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 96541271
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51929338
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9040276
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86962574
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide
CID 86889136
3-(3-fluorophenyl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43035596

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide (CID 51312428) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide is CCC(NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(OC)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide?
The InChIKey is BMHQTQBXWODMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-3-19(15-6-10-18(27-2)11-7-15)25-21(26)12-13-22-24-14-20(28-22)16-4-8-17(23)9-5-16/h4-11,14,19H,3,12-13H2,1-2H3,(H,25,26).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide has a molecular weight of 382.44 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 51312428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).