(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride

C15H19Cl2N3O2 — CID 119482806

IUPAC(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
SMILESCc1ccc(-c2ocnc2C(=O)N2CCC(N)C2)cc1.Cl.Cl
InChIInChI=1S/C15H17N3O2.2ClH/c1-10-2-4-11(5-3-10)14-13(17-9-20-14)15(19)18-7-6-12(16)8-18;;/h2-5,9,12H,6-8,16H2,1H3;2*1H
InChIKeyLORVLMIOAVSBHZ-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.67
Rot. Bonds2

About (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride

(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride (PubChem CID 119482806) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
PubChem CID119482806
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
SMILESCc1ccc(-c2ocnc2C(=O)N2CCC(N)C2)cc1.Cl.Cl
InChIInChI=1S/C15H17N3O2.2ClH/c1-10-2-4-11(5-3-10)14-13(17-9-20-14)15(19)18-7-6-12(16)8-18;;/h2-5,9,12H,6-8,16H2,1H3;2*1H
InChIKeyLORVLMIOAVSBHZ-UHFFFAOYSA-N
XLogP2.67
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355297
(3R)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124696527
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-4-yl]methanone
CID 124612021
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone
CID 124593259
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 51494370

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride (CID 119482806) is (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride is Cc1ccc(-c2ocnc2C(=O)N2CCC(N)C2)cc1.Cl.Cl.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride?
The InChIKey is LORVLMIOAVSBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.2ClH/c1-10-2-4-11(5-3-10)14-13(17-9-20-14)15(19)18-7-6-12(16)8-18;;/h2-5,9,12H,6-8,16H2,1H3;2*1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride?
(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride has a molecular weight of 344.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 119482806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).