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

C24H21F2N3O2S — CID 16601828

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)cs1
InChIInChI=1S/C24H21F2N3O2S/c1-15-29-21(14-32-15)17-4-2-16(3-5-17)10-11-27-23(30)8-9-24-28-13-22(31-24)19-7-6-18(25)12-20(19)26/h2-7,12-14H,8-11H2,1H3,(H,27,30)
InChIKeyJIZVCIKZAMVDJC-UHFFFAOYSA-N
MW453.51 g/mol
LogP5.34
Rot. Bonds8

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide (PubChem CID 16601828) has the molecular formula C24H21F2N3O2S and a molecular weight of 453.51 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
PubChem CID16601828
Molecular FormulaC24H21F2N3O2S
Molecular Weight453.51 g/mol
Exact Mass453.13
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)cs1
InChIInChI=1S/C24H21F2N3O2S/c1-15-29-21(14-32-15)17-4-2-16(3-5-17)10-11-27-23(30)8-9-24-28-13-22(31-24)19-7-6-18(25)12-20(19)26/h2-7,12-14H,8-11H2,1H3,(H,27,30)
InChIKeyJIZVCIKZAMVDJC-UHFFFAOYSA-N
XLogP5.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide (CID 16601828) is 3-[5-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide is Cc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)cs1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The InChIKey is JIZVCIKZAMVDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2S/c1-15-29-21(14-32-15)17-4-2-16(3-5-17)10-11-27-23(30)8-9-24-28-13-22(31-24)19-7-6-18(25)12-20(19)26/h2-7,12-14H,8-11H2,1H3,(H,27,30).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide has a molecular weight of 453.51 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 16601828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).