(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C11H11NO4 — CID 1096397

IUPAC(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C2=NO[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyHSCXSJZYFWHROH-SNVBAGLBSA-N
MW221.21 g/mol
LogP1.27
Rot. Bonds3

About (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 1096397) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID1096397
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C2=NO[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyHSCXSJZYFWHROH-SNVBAGLBSA-N
XLogP1.27
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43150140
(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078820
3-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 19863005
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 65096147
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 40503563
(5S)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503587
(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
(5S)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078762
N-[bis(4-methoxyphenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55675627
3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 23384230

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 1096397) is (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is COc1ccc(C2=NO[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is HSCXSJZYFWHROH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 1096397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).