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

C24H22FN3O2S — CID 16601829

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)cs1
InChIInChI=1S/C24H22FN3O2S/c1-16-28-21(15-31-16)18-8-6-17(7-9-18)12-13-26-23(29)10-11-24-27-14-22(30-24)19-4-2-3-5-20(19)25/h2-9,14-15H,10-13H2,1H3,(H,26,29)
InChIKeySFLNLWNRJOPCRC-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.20
Rot. Bonds8

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

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide (PubChem CID 16601829) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
PubChem CID16601829
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)cs1
InChIInChI=1S/C24H22FN3O2S/c1-16-28-21(15-31-16)18-8-6-17(7-9-18)12-13-26-23(29)10-11-24-27-14-22(30-24)19-4-2-3-5-20(19)25/h2-9,14-15H,10-13H2,1H3,(H,26,29)
InChIKeySFLNLWNRJOPCRC-UHFFFAOYSA-N
XLogP5.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide (CID 16601829) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide is Cc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)cs1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The InChIKey is SFLNLWNRJOPCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-16-28-21(15-31-16)18-8-6-17(7-9-18)12-13-26-23(29)10-11-24-27-14-22(30-24)19-4-2-3-5-20(19)25/h2-9,14-15H,10-13H2,1H3,(H,26,29).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide has a molecular weight of 435.52 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 16601829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).