(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride

C12H16ClN3O2 — CID 119933963

IUPAC(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(Cc2cc(-c3ccco3)on2)C1
InChIInChI=1S/C12H15N3O2.ClH/c13-9-3-4-15(7-9)8-10-6-12(17-14-10)11-2-1-5-16-11;/h1-2,5-6,9H,3-4,7-8,13H2;1H/t9-;/m0./s1
InChIKeyNCZRJCUWKAUFGY-FVGYRXGTSA-N
MW269.73 g/mol
LogP1.89
Rot. Bonds3

About (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119933963) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119933963
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(Cc2cc(-c3ccco3)on2)C1
InChIInChI=1S/C12H15N3O2.ClH/c13-9-3-4-15(7-9)8-10-6-12(17-14-10)11-2-1-5-16-11;/h1-2,5-6,9H,3-4,7-8,13H2;1H/t9-;/m0./s1
InChIKeyNCZRJCUWKAUFGY-FVGYRXGTSA-N
XLogP1.89
TPSA68.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride with MolForge

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Related Compounds

(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80703636
2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 63310200
3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 8617759
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride (CID 119933963) is (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(Cc2cc(-c3ccco3)on2)C1.
What is the InChIKey of (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is NCZRJCUWKAUFGY-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c13-9-3-4-15(7-9)8-10-6-12(17-14-10)11-2-1-5-16-11;/h1-2,5-6,9H,3-4,7-8,13H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119933963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).