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

C9H8N2O3 — CID 29078862

IUPAC(5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)[C@H]1CC(c2ccccn2)=NO1
InChIInChI=1S/C9H8N2O3/c12-9(13)8-5-7(11-14-8)6-3-1-2-4-10-6/h1-4,8H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyRKEQTVJMWSCNBP-MRVPVSSYSA-N
MW192.17 g/mol
LogP0.66
Rot. Bonds2

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

(5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 29078862) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID29078862
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name(5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)[C@H]1CC(c2ccccn2)=NO1
InChIInChI=1S/C9H8N2O3/c12-9(13)8-5-7(11-14-8)6-3-1-2-4-10-6/h1-4,8H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyRKEQTVJMWSCNBP-MRVPVSSYSA-N
XLogP0.66
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 89070674
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole
CID 71713998
(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078820
3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43150160
(5R)-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078758
(5R)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 973847
N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane
CID 143032047
N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 42815629
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3158063
3-(5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 23009245

Frequently Asked Questions

What is the IUPAC name of (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 29078862) is (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)[C@H]1CC(c2ccccn2)=NO1.
What is the InChIKey of (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is RKEQTVJMWSCNBP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-9(13)8-5-7(11-14-8)6-3-1-2-4-10-6/h1-4,8H,5H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
(5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 29078862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).