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

C18H18ClN3O4S — CID 24790511

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NC(C)c3csc(C)n3)no2)c(Cl)c1
InChIInChI=1S/C18H18ClN3O4S/c1-10(16-9-27-11(2)21-16)20-18(23)15-7-13(26-22-15)8-25-17-5-4-12(24-3)6-14(17)19/h4-7,9-10H,8H2,1-3H3,(H,20,23)
InChIKeyWYGORCIVVGDUKL-UHFFFAOYSA-N
MW407.88 g/mol
LogP4.17
Rot. Bonds7

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24790511) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24790511
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NC(C)c3csc(C)n3)no2)c(Cl)c1
InChIInChI=1S/C18H18ClN3O4S/c1-10(16-9-27-11(2)21-16)20-18(23)15-7-13(26-22-15)8-25-17-5-4-12(24-3)6-14(17)19/h4-7,9-10H,8H2,1-3H3,(H,20,23)
InChIKeyWYGORCIVVGDUKL-UHFFFAOYSA-N
XLogP4.17
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isoxazolecarboxamide
CID 16192390
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
5-[(3,4-difluorophenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791612
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-3-isoxazolecarboxamide
CID 24819337
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
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
5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-[(4-methylthiazol-2-yl)methyl]isoxazole-3-carboxamide
CID 24790688
4-({5-[(2-Chloro-4-methoxyphenoxy)methyl]-3-isoxazolyl}carbonyl)thiomorpholine
CID 24791332
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-3-isoxazolecarboxamide
CID 24791636

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24790511) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NC(C)c3csc(C)n3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WYGORCIVVGDUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-10(16-9-27-11(2)21-16)20-18(23)15-7-13(26-22-15)8-25-17-5-4-12(24-3)6-14(17)19/h4-7,9-10H,8H2,1-3H3,(H,20,23).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).