2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid

C14H15NO3 — CID 82294611

IUPAC2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESCC(C)c1ccc(-c2cc(CC(=O)O)on2)cc1
InChIInChI=1S/C14H15NO3/c1-9(2)10-3-5-11(6-4-10)13-7-12(18-15-13)8-14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyWHLVRSYEBWZRIM-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.09
Rot. Bonds4

About 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid

2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid (PubChem CID 82294611) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
PubChem CID82294611
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESCC(C)c1ccc(-c2cc(CC(=O)O)on2)cc1
InChIInChI=1S/C14H15NO3/c1-9(2)10-3-5-11(6-4-10)13-7-12(18-15-13)8-14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyWHLVRSYEBWZRIM-UHFFFAOYSA-N
XLogP3.09
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
CID 82126942
(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
CID 104876274
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-sulfonyl fluoride
CID 165459883
1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone
CID 176967213
2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61313489
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylcarbamoyl]-3-methylbutanoic acid
CID 167935125
2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
CID 63065042
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]propanoic acid
CID 43466304
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid (CID 82294611) is 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid is CC(C)c1ccc(-c2cc(CC(=O)O)on2)cc1.
What is the InChIKey of 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid?
The InChIKey is WHLVRSYEBWZRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)10-3-5-11(6-4-10)13-7-12(18-15-13)8-14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid?
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82294611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).