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

C19H23FN2O4 — CID 42240074

IUPAC2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C19H23FN2O4/c1-22(8-5-14-6-9-24-10-7-14)19(23)17-12-26-18(21-17)13-25-16-4-2-3-15(20)11-16/h2-4,11-12,14H,5-10,13H2,1H3
InChIKeyWYSUFBPLFBZYNM-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.28
Rot. Bonds7

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

2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 42240074) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID42240074
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C19H23FN2O4/c1-22(8-5-14-6-9-24-10-7-14)19(23)17-12-26-18(21-17)13-25-16-4-2-3-15(20)11-16/h2-4,11-12,14H,5-10,13H2,1H3
InChIKeyWYSUFBPLFBZYNM-UHFFFAOYSA-N
XLogP3.28
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 25448457
N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate
CID 42393681
N-ethyl-N-[(3R)-1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 95205357
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25375834
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 42529315
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45253177

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 42240074) is 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide is CN(CCC1CCOCC1)C(=O)c1coc(COc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WYSUFBPLFBZYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-22(8-5-14-6-9-24-10-7-14)19(23)17-12-26-18(21-17)13-25-16-4-2-3-15(20)11-16/h2-4,11-12,14H,5-10,13H2,1H3.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42240074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).