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

C19H24FN3O3 — CID 45252945

IUPAC2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCN(CC1CCCCN1C)C(=O)c1coc(COc2ccccc2F)n1
InChIInChI=1S/C19H24FN3O3/c1-22-10-6-5-7-14(22)11-23(2)19(24)16-12-26-18(21-16)13-25-17-9-4-3-8-15(17)20/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3
InChIKeyHBXVMEAAKFRHOG-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.95
Rot. Bonds6

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

2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 45252945) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID45252945
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCN(CC1CCCCN1C)C(=O)c1coc(COc2ccccc2F)n1
InChIInChI=1S/C19H24FN3O3/c1-22-10-6-5-7-14(22)11-23(2)19(24)16-12-26-18(21-16)13-25-17-9-4-3-8-15(17)20/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3
InChIKeyHBXVMEAAKFRHOG-UHFFFAOYSA-N
XLogP2.95
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45229428
2-[(2-fluorophenoxy)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56707631
N-[(1-ethylimidazol-2-yl)methyl]-2-[(2-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42096490
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 42300285
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 25454862
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45253177
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42147990
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
CID 95194158
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
2-[(2,3-difluorophenoxy)methyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56702436

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide (CID 45252945) is 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide is CN(CC1CCCCN1C)C(=O)c1coc(COc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HBXVMEAAKFRHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-22-10-6-5-7-14(22)11-23(2)19(24)16-12-26-18(21-16)13-25-17-9-4-3-8-15(17)20/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide?
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45252945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).