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

C15H16ClFN2O3 — CID 26317223

IUPACN-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H16ClFN2O3/c1-2-3-6-18-15(20)12-8-22-14(19-12)9-21-13-5-4-10(17)7-11(13)16/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,20)
InChIKeyQDZGAXXKTAYOMR-UHFFFAOYSA-N
MW326.75 g/mol
LogP3.58
Rot. Bonds7

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

N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 26317223) has the molecular formula C15H16ClFN2O3 and a molecular weight of 326.75 g/mol. Its IUPAC name is N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
PubChem CID26317223
Molecular FormulaC15H16ClFN2O3
Molecular Weight326.75 g/mol
Exact Mass326.08
IUPAC NameN-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H16ClFN2O3/c1-2-3-6-18-15(20)12-8-22-14(19-12)9-21-13-5-4-10(17)7-11(13)16/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,20)
InChIKeyQDZGAXXKTAYOMR-UHFFFAOYSA-N
XLogP3.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42213763
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45245412
5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19452883
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-[(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-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42147990
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-ethyl-3-hydroxypiperidin-1-yl]methanone
CID 95209558
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]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide (CID 26317223) is N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1coc(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QDZGAXXKTAYOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3/c1-2-3-6-18-15(20)12-8-22-14(19-12)9-21-13-5-4-10(17)7-11(13)16/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,20).
What are the key properties of N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 326.75 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 26317223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).