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

C16H13ClFN3O4 — CID 42378648

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C16H13ClFN3O4/c1-21(7-11-4-5-25-20-11)16(22)13-8-24-15(19-13)9-23-14-3-2-10(18)6-12(14)17/h2-6,8H,7,9H2,1H3
InChIKeyYKSAPZLQXXVIFG-UHFFFAOYSA-N
MW365.75 g/mol
LogP3.31
Rot. Bonds6

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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42378648) has the molecular formula C16H13ClFN3O4 and a molecular weight of 365.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID42378648
Molecular FormulaC16H13ClFN3O4
Molecular Weight365.75 g/mol
Exact Mass365.06
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C16H13ClFN3O4/c1-21(7-11-4-5-25-20-11)16(22)13-8-24-15(19-13)9-23-14-3-2-10(18)6-12(14)17/h2-6,8H,7,9H2,1H3
InChIKeyYKSAPZLQXXVIFG-UHFFFAOYSA-N
XLogP3.31
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 42378648) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide is CN(Cc1ccon1)C(=O)c1coc(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YKSAPZLQXXVIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O4/c1-21(7-11-4-5-25-20-11)16(22)13-8-24-15(19-13)9-23-14-3-2-10(18)6-12(14)17/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 365.75 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42378648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).