2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid

C11H11NO3 — CID 90719251

IUPAC2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)C[C@@H]1C=C(c2ccccc2)NO1
InChIInChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-6,9,12H,7H2,(H,13,14)/t9-/m0/s1
InChIKeyJDSQRPZZFBYAKR-VIFPVBQESA-N
MW205.21 g/mol
LogP1.41
Rot. Bonds3

About 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid

2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid (PubChem CID 90719251) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
PubChem CID90719251
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)C[C@@H]1C=C(c2ccccc2)NO1
InChIInChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-6,9,12H,7H2,(H,13,14)/t9-/m0/s1
InChIKeyJDSQRPZZFBYAKR-VIFPVBQESA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
2-[3-(2,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 123505263
3-(Benzylamino)oxypropanoic acid
CID 10058491
4-acetyl-3-phenyl-2H-1,2-oxazol-5-one
CID 14955907
5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylic acid
CID 19976915
5-Hydroxy-3-phenylisoxazole-4-carboxylic acid
CID 45117097
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
2-[3-(4-Cyanophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 57099117
4-(Methoxyamino)-4-phenylbut-3-enoic acid
CID 57132656
2-[3-(3-Nitrophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 57222165

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid (CID 90719251) is 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid is O=C(O)C[C@@H]1C=C(c2ccccc2)NO1.
What is the InChIKey of 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The InChIKey is JDSQRPZZFBYAKR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-6,9,12H,7H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid?
2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 90719251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).