3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide

C25H20F2N2O4S — CID 29492956

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H20F2N2O4S/c26-16-3-5-19(20(27)12-16)23-14-28-24(33-23)7-8-25(30)29(15-18-2-1-11-34-18)17-4-6-21-22(13-17)32-10-9-31-21/h1-6,11-14H,7-10,15H2
InChIKeyVDMKEWIVRNOPQI-UHFFFAOYSA-N
MW482.51 g/mol
LogP5.62
Rot. Bonds7

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 29492956) has the molecular formula C25H20F2N2O4S and a molecular weight of 482.51 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID29492956
Molecular FormulaC25H20F2N2O4S
Molecular Weight482.51 g/mol
Exact Mass482.11
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H20F2N2O4S/c26-16-3-5-19(20(27)12-16)23-14-28-24(33-23)7-8-25(30)29(15-18-2-1-11-34-18)17-4-6-21-22(13-17)32-10-9-31-21/h1-6,11-14H,7-10,15H2
InChIKeyVDMKEWIVRNOPQI-UHFFFAOYSA-N
XLogP5.62
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 29492956) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(Cc1cccs1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is VDMKEWIVRNOPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O4S/c26-16-3-5-19(20(27)12-16)23-14-28-24(33-23)7-8-25(30)29(15-18-2-1-11-34-18)17-4-6-21-22(13-17)32-10-9-31-21/h1-6,11-14H,7-10,15H2.
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 482.51 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 29492956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).