2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide

C18H21F2N3O3 — CID 45229428

IUPAC2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCN(CC1CCCN1C)C(=O)c1coc(COc2cccc(F)c2F)n1
InChIInChI=1S/C18H21F2N3O3/c1-22-8-4-5-12(22)9-23(2)18(24)14-10-26-16(21-14)11-25-15-7-3-6-13(19)17(15)20/h3,6-7,10,12H,4-5,8-9,11H2,1-2H3
InChIKeyOMXLILQSWWRLGE-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.70
Rot. Bonds6

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

2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 45229428) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID45229428
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCN(CC1CCCN1C)C(=O)c1coc(COc2cccc(F)c2F)n1
InChIInChI=1S/C18H21F2N3O3/c1-22-8-4-5-12(22)9-23(2)18(24)14-10-26-16(21-14)11-25-15-7-3-6-13(19)17(15)20/h3,6-7,10,12H,4-5,8-9,11H2,1-2H3
InChIKeyOMXLILQSWWRLGE-UHFFFAOYSA-N
XLogP2.70
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45252945
[(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 95218325
2-[(2,3-difluorophenoxy)methyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56702436
2-[(2-fluorophenoxy)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56707631
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42147990
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45253177
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
CID 19002688
2-fluoro-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 81480578
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 42300285
N-[(1-ethylimidazol-2-yl)methyl]-2-[(2-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42096490

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide (CID 45229428) is 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide is CN(CC1CCCN1C)C(=O)c1coc(COc2cccc(F)c2F)n1.
What is the InChIKey of 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OMXLILQSWWRLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-22-8-4-5-12(22)9-23(2)18(24)14-10-26-16(21-14)11-25-15-7-3-6-13(19)17(15)20/h3,6-7,10,12H,4-5,8-9,11H2,1-2H3.
What are the key properties of 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide?
2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45229428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).