3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride

C14H16ClN3O3 — CID 171316593

IUPAC3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CCN(c2noc(-c3ccccc3)c2C(=O)O)C1
InChIInChI=1S/C14H15N3O3.ClH/c15-10-6-7-17(8-10)13-11(14(18)19)12(20-16-13)9-4-2-1-3-5-9;/h1-5,10H,6-8,15H2,(H,18,19);1H/t10-;/m1./s1
InChIKeyDJRCCDDXDXSRHP-HNCPQSOCSA-N
MW309.75 g/mol
LogP2.00
Rot. Bonds3

About 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride

3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride (PubChem CID 171316593) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride
PubChem CID171316593
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CCN(c2noc(-c3ccccc3)c2C(=O)O)C1
InChIInChI=1S/C14H15N3O3.ClH/c15-10-6-7-17(8-10)13-11(14(18)19)12(20-16-13)9-4-2-1-3-5-9;/h1-5,10H,6-8,15H2,(H,18,19);1H/t10-;/m1./s1
InChIKeyDJRCCDDXDXSRHP-HNCPQSOCSA-N
XLogP2.00
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride (CID 171316593) is 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride is Cl.N[C@@H]1CCN(c2noc(-c3ccccc3)c2C(=O)O)C1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride?
The InChIKey is DJRCCDDXDXSRHP-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H15N3O3.ClH/c15-10-6-7-17(8-10)13-11(14(18)19)12(20-16-13)9-4-2-1-3-5-9;/h1-5,10H,6-8,15H2,(H,18,19);1H/t10-;/m1./s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride?
3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride has a molecular weight of 309.75 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 171316593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).