3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid

C19H22N2O5 — CID 155306026

IUPAC3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(Cc1ccc(-c2cc(C(=O)O)on2)cc1)OC(=O)C1CC(N)C1
InChIInChI=1S/C19H22N2O5/c1-19(2,25-18(24)13-7-14(20)8-13)10-11-3-5-12(6-4-11)15-9-16(17(22)23)26-21-15/h3-6,9,13-14H,7-8,10,20H2,1-2H3,(H,22,23)
InChIKeyLQVZAVGPWLPBGM-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.64
Rot. Bonds6

About 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 155306026) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID155306026
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(Cc1ccc(-c2cc(C(=O)O)on2)cc1)OC(=O)C1CC(N)C1
InChIInChI=1S/C19H22N2O5/c1-19(2,25-18(24)13-7-14(20)8-13)10-11-3-5-12(6-4-11)15-9-16(17(22)23)26-21-15/h3-6,9,13-14H,7-8,10,20H2,1-2H3,(H,22,23)
InChIKeyLQVZAVGPWLPBGM-UHFFFAOYSA-N
XLogP2.64
TPSA115.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid (CID 155306026) is 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid is CC(C)(Cc1ccc(-c2cc(C(=O)O)on2)cc1)OC(=O)C1CC(N)C1.
What is the InChIKey of 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is LQVZAVGPWLPBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-19(2,25-18(24)13-7-14(20)8-13)10-11-3-5-12(6-4-11)15-9-16(17(22)23)26-21-15/h3-6,9,13-14H,7-8,10,20H2,1-2H3,(H,22,23).
What are the key properties of 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-aminocyclobutanecarbonyl)oxy-2-methylpropyl]phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 155306026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).