7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid

C13H20N2O5 — CID 43359027

IUPAC7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid
SMILESCc1cc(OCC(=O)NCCCCCCC(=O)O)no1
InChIInChI=1S/C13H20N2O5/c1-10-8-12(15-20-10)19-9-11(16)14-7-5-3-2-4-6-13(17)18/h8H,2-7,9H2,1H3,(H,14,16)(H,17,18)
InChIKeyYKSOXEJKJKYOMP-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.51
Rot. Bonds10

About 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid

7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid (PubChem CID 43359027) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid
PubChem CID43359027
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid
SMILESCc1cc(OCC(=O)NCCCCCCC(=O)O)no1
InChIInChI=1S/C13H20N2O5/c1-10-8-12(15-20-10)19-9-11(16)14-7-5-3-2-4-6-13(17)18/h8H,2-7,9H2,1H3,(H,14,16)(H,17,18)
InChIKeyYKSOXEJKJKYOMP-UHFFFAOYSA-N
XLogP1.51
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 81065180
N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 115594509
N-(3-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65034360
2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164343
N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 113462718
3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 43467740
(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
CID 61155868
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114182062
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide
CID 155302808

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid (CID 43359027) is 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid is Cc1cc(OCC(=O)NCCCCCCC(=O)O)no1.
What is the InChIKey of 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid?
The InChIKey is YKSOXEJKJKYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-10-8-12(15-20-10)19-9-11(16)14-7-5-3-2-4-6-13(17)18/h8H,2-7,9H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid?
7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid is sourced from PubChem (CID 43359027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).