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

C19H18FN3O3 — CID 25299549

IUPAC2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C19H18FN3O3/c1-23(10-8-15-6-2-3-9-21-15)19(24)17-12-26-18(22-17)13-25-16-7-4-5-14(20)11-16/h2-7,9,11-12H,8,10,13H2,1H3
InChIKeyOTVFICZWODPUSE-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.10
Rot. Bonds7

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

2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 25299549) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID25299549
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C19H18FN3O3/c1-23(10-8-15-6-2-3-9-21-15)19(24)17-12-26-18(22-17)13-25-16-7-4-5-14(20)11-16/h2-7,9,11-12H,8,10,13H2,1H3
InChIKeyOTVFICZWODPUSE-UHFFFAOYSA-N
XLogP3.10
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Phenoxy-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hexan-1-one
CID 16735834
5-({4-[(2-Methyl-1-piperidinyl)carbonyl]-1,3-oxazol-2-yl}methoxy)isoquinoline
CID 45183860
ALP-POS-ced8ea4d-55
CID 156906622
ALP-POS-ced8ea4d-67
CID 156906628
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(4-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42098982
US9617282, Example 53
CID 86299716
US9617282, Example 54
CID 86299717
N-ethyl-N-(4-pyridinylmethyl)-2-{[3-(trifluoromethyl)phenoxy]methyl}-1,3-oxazole-4-carboxamide
CID 25275233
N-[2-(2-pyrazinyl)ethyl]-2-{[3-(trifluoromethyl)phenoxy]methyl}-1,3-oxazole-4-carboxamide
CID 25457403
1-({2-[(3-Fluorophenoxy)methyl]-1,3-oxazol-4-yl}carbonyl)-4-phenylpiperazine
CID 26402311
(2R*,6S*)-4-({2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl}carbonyl)-2,6-dimethylmorpholine
CID 26408845
2-[(2,3-difluorophenoxy)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42096075

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 25299549) is 2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is CN(CCc1ccccn1)C(=O)c1coc(COc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OTVFICZWODPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-23(10-8-15-6-2-3-9-21-15)19(24)17-12-26-18(22-17)13-25-16-7-4-5-14(20)11-16/h2-7,9,11-12H,8,10,13H2,1H3.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.10, 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-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25299549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).