2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride

C15H21Cl2N3O4 — CID 120946480

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCc1oc(-c2ccco2)nc1CC(=O)NCC1CNCC1O.Cl.Cl
InChIInChI=1S/C15H19N3O4.2ClH/c1-9-11(18-15(22-9)13-3-2-4-21-13)5-14(20)17-7-10-6-16-8-12(10)19;;/h2-4,10,12,16,19H,5-8H2,1H3,(H,17,20);2*1H
InChIKeyCUEGKXIBUHSHTM-UHFFFAOYSA-N
MW378.26 g/mol
LogP1.33
Rot. Bonds5

About 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride (PubChem CID 120946480) has the molecular formula C15H21Cl2N3O4 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
PubChem CID120946480
Molecular FormulaC15H21Cl2N3O4
Molecular Weight378.26 g/mol
Exact Mass377.09
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCc1oc(-c2ccco2)nc1CC(=O)NCC1CNCC1O.Cl.Cl
InChIInChI=1S/C15H19N3O4.2ClH/c1-9-11(18-15(22-9)13-3-2-4-21-13)5-14(20)17-7-10-6-16-8-12(10)19;;/h2-4,10,12,16,19H,5-8H2,1H3,(H,17,20);2*1H
InChIKeyCUEGKXIBUHSHTM-UHFFFAOYSA-N
XLogP1.33
TPSA100.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97066559
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119447492
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119427221
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119393013
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120553081
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 96548574
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120830795
1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544803
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484864
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119472173
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120944619

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride (CID 120946480) is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride is Cc1oc(-c2ccco2)nc1CC(=O)NCC1CNCC1O.Cl.Cl.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The InChIKey is CUEGKXIBUHSHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4.2ClH/c1-9-11(18-15(22-9)13-3-2-4-21-13)5-14(20)17-7-10-6-16-8-12(10)19;;/h2-4,10,12,16,19H,5-8H2,1H3,(H,17,20);2*1H.
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride has a molecular weight of 378.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120946480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).