5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide

C17H19BrN2O4 — CID 118536681

IUPAC5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(COc2ccc(Br)cc2)on1
InChIInChI=1S/C17H19BrN2O4/c18-13-1-3-14(4-2-13)23-11-15-9-16(20-24-15)17(21)19-10-12-5-7-22-8-6-12/h1-4,9,12H,5-8,10-11H2,(H,19,21)
InChIKeyAVCSGYBLUGWPPU-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.17
Rot. Bonds6

About 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536681) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID118536681
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(COc2ccc(Br)cc2)on1
InChIInChI=1S/C17H19BrN2O4/c18-13-1-3-14(4-2-13)23-11-15-9-16(20-24-15)17(21)19-10-12-5-7-22-8-6-12/h1-4,9,12H,5-8,10-11H2,(H,19,21)
InChIKeyAVCSGYBLUGWPPU-UHFFFAOYSA-N
XLogP3.17
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369661
N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
CID 90325844
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110155
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110215
5-[(3,4-dichlorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536638
N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118536804
5-[(3,4-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325875
3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16762540
5-[[4-[(2-fluorobenzoyl)amino]phenoxy]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95086436
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
5-[(2,3-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325977

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 118536681) is 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOCC1)c1cc(COc2ccc(Br)cc2)on1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AVCSGYBLUGWPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c18-13-1-3-14(4-2-13)23-11-15-9-16(20-24-15)17(21)19-10-12-5-7-22-8-6-12/h1-4,9,12H,5-8,10-11H2,(H,19,21).
What are the key properties of 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 395.25 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).