2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid

C17H20N2O5 — CID 119246431

IUPAC2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESCC(C)(C)c1cc(C(=O)NCc2cccc(OCC(=O)O)c2)no1
InChIInChI=1S/C17H20N2O5/c1-17(2,3)14-8-13(19-24-14)16(22)18-9-11-5-4-6-12(7-11)23-10-15(20)21/h4-8H,9-10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyREMPFKUGARROAL-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.37
Rot. Bonds6

About 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid

2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid (PubChem CID 119246431) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
PubChem CID119246431
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESCC(C)(C)c1cc(C(=O)NCc2cccc(OCC(=O)O)c2)no1
InChIInChI=1S/C17H20N2O5/c1-17(2,3)14-8-13(19-24-14)16(22)18-9-11-5-4-6-12(7-11)23-10-15(20)21/h4-8H,9-10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyREMPFKUGARROAL-UHFFFAOYSA-N
XLogP2.37
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
CID 119246780
2-[3-[[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120527364
2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid
CID 167809685
2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 122107947
2-[3-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120687818
2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
CID 119246914
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid
CID 122107946
2-[3-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 120527410

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid (CID 119246431) is 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid is CC(C)(C)c1cc(C(=O)NCc2cccc(OCC(=O)O)c2)no1.
What is the InChIKey of 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is REMPFKUGARROAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-17(2,3)14-8-13(19-24-14)16(22)18-9-11-5-4-6-12(7-11)23-10-15(20)21/h4-8H,9-10H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid?
2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).