3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide

C19H16F2N2O2S — CID 17449352

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1
InChIInChI=1S/C19H16F2N2O2S/c1-26-13-5-2-4-12(10-13)23-17(24)8-9-18-22-11-16(25-18)19-14(20)6-3-7-15(19)21/h2-7,10-11H,8-9H2,1H3,(H,23,24)
InChIKeyDYXGNKXYSSNBSM-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.91
Rot. Bonds6

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 17449352) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID17449352
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1
InChIInChI=1S/C19H16F2N2O2S/c1-26-13-5-2-4-12(10-13)23-17(24)8-9-18-22-11-16(25-18)19-14(20)6-3-7-15(19)21/h2-7,10-11H,8-9H2,1H3,(H,23,24)
InChIKeyDYXGNKXYSSNBSM-UHFFFAOYSA-N
XLogP4.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide (CID 17449352) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is DYXGNKXYSSNBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-26-13-5-2-4-12(10-13)23-17(24)8-9-18-22-11-16(25-18)19-14(20)6-3-7-15(19)21/h2-7,10-11H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 374.41 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 17449352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).