5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide

C17H15ClFN3O4 — CID 29210947

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(COc3ccc(F)cc3Cl)on2)on1
InChIInChI=1S/C17H15ClFN3O4/c1-10-5-12(25-20-10)8-22(2)17(23)15-7-13(26-21-15)9-24-16-4-3-11(19)6-14(16)18/h3-7H,8-9H2,1-2H3
InChIKeyDHIYVKWIWOLNTA-UHFFFAOYSA-N
MW379.78 g/mol
LogP3.61
Rot. Bonds6

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 29210947) has the molecular formula C17H15ClFN3O4 and a molecular weight of 379.78 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID29210947
Molecular FormulaC17H15ClFN3O4
Molecular Weight379.78 g/mol
Exact Mass379.07
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(COc3ccc(F)cc3Cl)on2)on1
InChIInChI=1S/C17H15ClFN3O4/c1-10-5-12(25-20-10)8-22(2)17(23)15-7-13(26-21-15)9-24-16-4-3-11(19)6-14(16)18/h3-7H,8-9H2,1-2H3
InChIKeyDHIYVKWIWOLNTA-UHFFFAOYSA-N
XLogP3.61
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide (CID 29210947) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(CN(C)C(=O)c2cc(COc3ccc(F)cc3Cl)on2)on1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DHIYVKWIWOLNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O4/c1-10-5-12(25-20-10)8-22(2)17(23)15-7-13(26-21-15)9-24-16-4-3-11(19)6-14(16)18/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.78 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 29210947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).