2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide

C18H21FN2O4 — CID 42356286

IUPAC2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C18H21FN2O4/c19-13-5-4-6-14(9-13)24-11-16-21-15(10-25-16)17(22)20-12-18(23)7-2-1-3-8-18/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,20,22)
InChIKeyTZKIHRGKZAFBDI-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.82
Rot. Bonds6

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

2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42356286) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID42356286
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C18H21FN2O4/c19-13-5-4-6-14(9-13)24-11-16-21-15(10-25-16)17(22)20-12-18(23)7-2-1-3-8-18/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,20,22)
InChIKeyTZKIHRGKZAFBDI-UHFFFAOYSA-N
XLogP2.82
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide (CID 42356286) is 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide is O=C(NCC1(O)CCCCC1)c1coc(COc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is TZKIHRGKZAFBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c19-13-5-4-6-14(9-13)24-11-16-21-15(10-25-16)17(22)20-12-18(23)7-2-1-3-8-18/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,20,22).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-[(1-hydroxycyclohexyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42356286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).