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

C10H7Cl2NO3 — CID 7259902

IUPAC(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1
InChIInChI=1S/C10H7Cl2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-3,9H,4H2,(H,14,15)/t9-/m1/s1
InChIKeyNDHFMONJGUAVQS-SECBINFHSA-N
MW260.08 g/mol
LogP2.57
Rot. Bonds2

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

(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 7259902) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID7259902
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1
InChIInChI=1S/C10H7Cl2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-3,9H,4H2,(H,14,15)/t9-/m1/s1
InChIKeyNDHFMONJGUAVQS-SECBINFHSA-N
XLogP2.57
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3158063
3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 19863022
3-(3,4-dibromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 19863025
(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078820
3-(2,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 19863020
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
(5S)-3-(3,4-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7259888
(5R)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 973847
(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7085447
3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43143778
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
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-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 7259902) is (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1.
What is the InChIKey of (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is NDHFMONJGUAVQS-SECBINFHSA-N. The full InChI is InChI=1S/C10H7Cl2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-3,9H,4H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 260.08 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 7259902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).