5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid

C15H19NO3 — CID 91579203

IUPAC5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid
SMILESCCC1(C(=O)O)C=C(c2ccccc2C(C)C)NO1
InChIInChI=1S/C15H19NO3/c1-4-15(14(17)18)9-13(16-19-15)12-8-6-5-7-11(12)10(2)3/h5-10,16H,4H2,1-3H3,(H,17,18)
InChIKeyMVYPODKFGDIJIJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.92
Rot. Bonds4

About 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid

5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid (PubChem CID 91579203) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid
PubChem CID91579203
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid
SMILESCCC1(C(=O)O)C=C(c2ccccc2C(C)C)NO1
InChIInChI=1S/C15H19NO3/c1-4-15(14(17)18)9-13(16-19-15)12-8-6-5-7-11(12)10(2)3/h5-10,16H,4H2,1-3H3,(H,17,18)
InChIKeyMVYPODKFGDIJIJ-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylic acid
CID 19976915
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
3-(2-Cyanophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57183001
ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate
CID 91248647
2-[(3-Benzylcyclobuten-1-yl)amino]oxy-2-methylpropanoic acid
CID 150567441
2-Methyl-2-[(3-phenylcyclobuten-1-yl)amino]oxypropanoic acid
CID 151325518
2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid
CID 2400444

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid (CID 91579203) is 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid is CCC1(C(=O)O)C=C(c2ccccc2C(C)C)NO1.
What is the InChIKey of 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid?
The InChIKey is MVYPODKFGDIJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-15(14(17)18)9-13(16-19-15)12-8-6-5-7-11(12)10(2)3/h5-10,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid?
5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 91579203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).