N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide

C17H14FN3O3S — CID 155560442

IUPACN-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(F)cc2O)cs1
InChIInChI=1S/C17H14FN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3
InChIKeyKXBRSXLOEIFLBR-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.67
Rot. Bonds5

About N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide

N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide (PubChem CID 155560442) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
PubChem CID155560442
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(F)cc2O)cs1
InChIInChI=1S/C17H14FN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3
InChIKeyKXBRSXLOEIFLBR-UHFFFAOYSA-N
XLogP3.67
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide (CID 155560442) is N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(F)cc2O)cs1.
What is the InChIKey of N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The InChIKey is KXBRSXLOEIFLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3.
What are the key properties of N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide has a molecular weight of 359.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 155560442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).