5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C18H21FN2O5 — CID 90325978

IUPAC5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1noc(COCc2ccccc2F)c1CO
InChIInChI=1S/C18H21FN2O5/c19-15-4-2-1-3-13(15)10-25-11-16-14(8-22)17(21-26-16)18(23)20-7-12-5-6-24-9-12/h1-4,12,22H,5-11H2,(H,20,23)
InChIKeyHPYXXFVGZSJZKE-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.79
Rot. Bonds8

About 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90325978) has the molecular formula C18H21FN2O5 and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90325978
Molecular FormulaC18H21FN2O5
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1noc(COCc2ccccc2F)c1CO
InChIInChI=1S/C18H21FN2O5/c19-15-4-2-1-3-13(15)10-25-11-16-14(8-22)17(21-26-16)18(23)20-7-12-5-6-24-9-12/h1-4,12,22H,5-11H2,(H,20,23)
InChIKeyHPYXXFVGZSJZKE-UHFFFAOYSA-N
XLogP1.79
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-bromo-5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 148732374
1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 159404084
5-[(2,3-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325977
5-[(4-chloro-2-fluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325753
5-[(3,4-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325875
4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 140818697
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326211
4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene
CID 118536979
1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94198923
1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 125173472
5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325779

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90325978) is 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1noc(COCc2ccccc2F)c1CO.
What is the InChIKey of 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HPYXXFVGZSJZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5/c19-15-4-2-1-3-13(15)10-25-11-16-14(8-22)17(21-26-16)18(23)20-7-12-5-6-24-9-12/h1-4,12,22H,5-11H2,(H,20,23).
What are the key properties of 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).