N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C19H13F2N3O2S — CID 16590688

IUPACN-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H13F2N3O2S/c20-11-5-6-12(13(21)9-11)15-10-22-18(26-15)8-7-17(25)24-19-23-14-3-1-2-4-16(14)27-19/h1-6,9-10H,7-8H2,(H,23,24,25)
InChIKeyNPANOYRWSGYQML-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.80
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16590688) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16590688
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H13F2N3O2S/c20-11-5-6-12(13(21)9-11)15-10-22-18(26-15)8-7-17(25)24-19-23-14-3-1-2-4-16(14)27-19/h1-6,9-10H,7-8H2,(H,23,24,25)
InChIKeyNPANOYRWSGYQML-UHFFFAOYSA-N
XLogP4.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16591529
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16592563
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 39220628
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16601238
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 29496795
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 52548576
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 22830619

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16590688) is N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is NPANOYRWSGYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c20-11-5-6-12(13(21)9-11)15-10-22-18(26-15)8-7-17(25)24-19-23-14-3-1-2-4-16(14)27-19/h1-6,9-10H,7-8H2,(H,23,24,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 385.40 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16590688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).