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

C17H15F2N3O3S — CID 45194256

IUPAC5-[(2,4-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)cc3F)on2)cs1
InChIInChI=1S/C17H15F2N3O3S/c1-9(15-8-26-10(2)21-15)20-17(23)14-6-12(25-22-14)7-24-16-4-3-11(18)5-13(16)19/h3-6,8-9H,7H2,1-2H3,(H,20,23)
InChIKeyPMWHFAIJZGMKSU-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.79
Rot. Bonds6

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

5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 45194256) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID45194256
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name5-[(2,4-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)cc3F)on2)cs1
InChIInChI=1S/C17H15F2N3O3S/c1-9(15-8-26-10(2)21-15)20-17(23)14-6-12(25-22-14)7-24-16-4-3-11(18)5-13(16)19/h3-6,8-9H,7H2,1-2H3,(H,20,23)
InChIKeyPMWHFAIJZGMKSU-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 45194256) is 5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-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)cc3F)on2)cs1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PMWHFAIJZGMKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-9(15-8-26-10(2)21-15)20-17(23)14-6-12(25-22-14)7-24-16-4-3-11(18)5-13(16)19/h3-6,8-9H,7H2,1-2H3,(H,20,23).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(2,4-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-[(2,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45194256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).