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

C18H20ClFN2O4 — CID 45253177

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H20ClFN2O4/c1-22(9-13-4-2-3-7-24-13)18(23)15-10-26-17(21-15)11-25-16-6-5-12(20)8-14(16)19/h5-6,8,10,13H,2-4,7,9,11H2,1H3
InChIKeyFFANFEVNLOONQL-UHFFFAOYSA-N
MW382.82 g/mol
LogP3.69
Rot. Bonds6

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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 45253177) has the molecular formula C18H20ClFN2O4 and a molecular weight of 382.82 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID45253177
Molecular FormulaC18H20ClFN2O4
Molecular Weight382.82 g/mol
Exact Mass382.11
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H20ClFN2O4/c1-22(9-13-4-2-3-7-24-13)18(23)15-10-26-17(21-15)11-25-16-6-5-12(20)8-14(16)19/h5-6,8,10,13H,2-4,7,9,11H2,1H3
InChIKeyFFANFEVNLOONQL-UHFFFAOYSA-N
XLogP3.69
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42147990
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45245412
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56704523
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 56741300
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26317223
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-ethyl-3-hydroxypiperidin-1-yl]methanone
CID 95209558
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45252945
2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45229428
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95209994
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3S)-2-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95202945

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 45253177) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide is CN(CC1CCCCO1)C(=O)c1coc(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FFANFEVNLOONQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4/c1-22(9-13-4-2-3-7-24-13)18(23)15-10-26-17(21-15)11-25-16-6-5-12(20)8-14(16)19/h5-6,8,10,13H,2-4,7,9,11H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 382.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45253177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).