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

C22H18FN3O3 — CID 30889484

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc2)co1
InChIInChI=1S/C22H18FN3O3/c1-14-25-19(13-28-14)15-4-8-18(9-5-15)26-21(27)10-11-22-24-12-20(29-22)16-2-6-17(23)7-3-16/h2-9,12-13H,10-11H2,1H3,(H,26,27)
InChIKeyMQCDDQBFPLRUPF-UHFFFAOYSA-N
MW391.40 g/mol
LogP5.02
Rot. Bonds6

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide (PubChem CID 30889484) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
PubChem CID30889484
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc2)co1
InChIInChI=1S/C22H18FN3O3/c1-14-25-19(13-28-14)15-4-8-18(9-5-15)26-21(27)10-11-22-24-12-20(29-22)16-2-6-17(23)7-3-16/h2-9,12-13H,10-11H2,1H3,(H,26,27)
InChIKeyMQCDDQBFPLRUPF-UHFFFAOYSA-N
XLogP5.02
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 55.02
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-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide (CID 30889484) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide is Cc1nc(-c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc2)co1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide?
The InChIKey is MQCDDQBFPLRUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-14-25-19(13-28-14)15-4-8-18(9-5-15)26-21(27)10-11-22-24-12-20(29-22)16-2-6-17(23)7-3-16/h2-9,12-13H,10-11H2,1H3,(H,26,27).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide has a molecular weight of 391.40 g/mol, XLogP of 5.02, 6 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-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 30889484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).