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

C19H20ClFN4O3 — CID 24791839

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1
InChIInChI=1S/C19H20ClFN4O3/c1-12(2)25(10-18-22-6-7-24(18)3)19(26)16-9-14(28-23-16)11-27-17-5-4-13(21)8-15(17)20/h4-9,12H,10-11H2,1-3H3
InChIKeyPCNNCZNVDTXGBG-UHFFFAOYSA-N
MW406.85 g/mol
LogP3.83
Rot. Bonds7

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

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 24791839) has the molecular formula C19H20ClFN4O3 and a molecular weight of 406.85 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID24791839
Molecular FormulaC19H20ClFN4O3
Molecular Weight406.85 g/mol
Exact Mass406.12
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1
InChIInChI=1S/C19H20ClFN4O3/c1-12(2)25(10-18-22-6-7-24(18)3)19(26)16-9-14(28-23-16)11-27-17-5-4-13(21)8-15(17)20/h4-9,12H,10-11H2,1-3H3
InChIKeyPCNNCZNVDTXGBG-UHFFFAOYSA-N
XLogP3.83
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 53.83
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-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 24791839) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PCNNCZNVDTXGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O3/c1-12(2)25(10-18-22-6-7-24(18)3)19(26)16-9-14(28-23-16)11-27-17-5-4-13(21)8-15(17)20/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 406.85 g/mol, XLogP of 3.83, 7 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-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).