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

C17H14ClFN4O3 — CID 42213763

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cnccn1)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C17H14ClFN4O3/c18-13-7-11(19)1-2-15(13)25-10-16-23-14(9-26-16)17(24)22-4-3-12-8-20-5-6-21-12/h1-2,5-9H,3-4,10H2,(H,22,24)
InChIKeyZDSRXOMSZNUVOT-UHFFFAOYSA-N
MW376.78 g/mol
LogP2.81
Rot. Bonds7

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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42213763) has the molecular formula C17H14ClFN4O3 and a molecular weight of 376.78 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42213763
Molecular FormulaC17H14ClFN4O3
Molecular Weight376.78 g/mol
Exact Mass376.07
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cnccn1)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C17H14ClFN4O3/c18-13-7-11(19)1-2-15(13)25-10-16-23-14(9-26-16)17(24)22-4-3-12-8-20-5-6-21-12/h1-2,5-9H,3-4,10H2,(H,22,24)
InChIKeyZDSRXOMSZNUVOT-UHFFFAOYSA-N
XLogP2.81
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26317223
2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42348179
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45245412
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3S)-2-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95202945
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 26322993
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56704523
2-(isoquinolin-5-yloxymethyl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42198455
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
N-[(3R)-3-hydroxybutyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95189225
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 42213763) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1cnccn1)c1coc(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZDSRXOMSZNUVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O3/c18-13-7-11(19)1-2-15(13)25-10-16-23-14(9-26-16)17(24)22-4-3-12-8-20-5-6-21-12/h1-2,5-9H,3-4,10H2,(H,22,24).
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 376.78 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42213763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).