5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

C17H15F2N3O3S — CID 24791612

IUPAC5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cc(COc3ccc(F)c(F)c3)on2)cs1
InChIInChI=1S/C17H15F2N3O3S/c1-9(16-8-26-10(2)21-16)20-17(23)15-6-12(25-22-15)7-24-11-3-4-13(18)14(19)5-11/h3-6,8-9H,7H2,1-2H3,(H,20,23)
InChIKeyACSCMTJOFNRMIT-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.79
Rot. Bonds6

About 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791612) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24791612
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cc(COc3ccc(F)c(F)c3)on2)cs1
InChIInChI=1S/C17H15F2N3O3S/c1-9(16-8-26-10(2)21-16)20-17(23)15-6-12(25-22-15)7-24-11-3-4-13(18)14(19)5-11/h3-6,8-9H,7H2,1-2H3,(H,20,23)
InChIKeyACSCMTJOFNRMIT-UHFFFAOYSA-N
XLogP3.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,6-difluorophenoxy)methyl]-N-[(5-methyl-2-thienyl)methyl]-3-isoxazolecarboxamide
CID 16187298
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isoxazolecarboxamide
CID 16192390
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-isoxazolecarboxamide
CID 24790511
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-{[2-(methylthio)phenoxy]methyl}-3-isoxazolecarboxamide
CID 24790776
5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-3-isoxazolecarboxamide
CID 24791024
N-[(6-methyl-2-pyridinyl)methyl]-5-{[2-(methylthio)phenoxy]methyl}-3-isoxazolecarboxamide
CID 24791868
5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24793863
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-isoxazolecarboxamide
CID 16189776
5-[(2,6-dimethylphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-isoxazolecarboxamide
CID 24791254
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide
CID 16187285
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoxazole-3-carboxamide
CID 16189119
5-[(2,6-difluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoxazole-3-carboxamide
CID 16190548

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24791612) is 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1nc(C(C)NC(=O)c2cc(COc3ccc(F)c(F)c3)on2)cs1.
What is the InChIKey of 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ACSCMTJOFNRMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-9(16-8-26-10(2)21-16)20-17(23)15-6-12(25-22-15)7-24-11-3-4-13(18)14(19)5-11/h3-6,8-9H,7H2,1-2H3,(H,20,23).
What are the key properties of 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).