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

C13H18N2O5 — CID 81164343

IUPAC2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESCc1cc(OCC(=O)NCC2(CC(=O)O)CCC2)no1
InChIInChI=1S/C13H18N2O5/c1-9-5-11(15-20-9)19-7-10(16)14-8-13(3-2-4-13)6-12(17)18/h5H,2-4,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyHINMNLQRMHSDGC-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.12
Rot. Bonds7

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

2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81164343) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81164343
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESCc1cc(OCC(=O)NCC2(CC(=O)O)CCC2)no1
InChIInChI=1S/C13H18N2O5/c1-9-5-11(15-20-9)19-7-10(16)14-8-13(3-2-4-13)6-12(17)18/h5H,2-4,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyHINMNLQRMHSDGC-UHFFFAOYSA-N
XLogP1.12
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 81065180
7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid
CID 43359027
N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164815
N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 115594509
2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163585
N-(3-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65034360
N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 113462718
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 114818940
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 30797857
2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
CID 86207484

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid (CID 81164343) is 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid is Cc1cc(OCC(=O)NCC2(CC(=O)O)CCC2)no1.
What is the InChIKey of 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is HINMNLQRMHSDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9-5-11(15-20-9)19-7-10(16)14-8-13(3-2-4-13)6-12(17)18/h5H,2-4,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).