5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride

C13H16ClN3O4 — CID 120944619

IUPAC5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H15N3O4.ClH/c17-10-7-14-5-8(10)6-15-13(18)9-4-12(20-16-9)11-2-1-3-19-11;/h1-4,8,10,14,17H,5-7H2,(H,15,18);1H
InChIKeyLJWSASTUDHKHJM-UHFFFAOYSA-N
MW313.74 g/mol
LogP0.67
Rot. Bonds4

About 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride

5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 120944619) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID120944619
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H15N3O4.ClH/c17-10-7-14-5-8(10)6-15-13(18)9-4-12(20-16-9)11-2-1-3-19-11;/h1-4,8,10,14,17H,5-7H2,(H,15,18);1H
InChIKeyLJWSASTUDHKHJM-UHFFFAOYSA-N
XLogP0.67
TPSA100.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 120943202
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CID 120944023
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946480
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
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CID 54897309
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
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CID 103770495
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119459139
5-(furan-2-yl)-N-(2-hydroxy-2-methylpentyl)-1,2-oxazole-3-carboxamide
CID 103712832

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride (CID 120944619) is 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is LJWSASTUDHKHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4.ClH/c17-10-7-14-5-8(10)6-15-13(18)9-4-12(20-16-9)11-2-1-3-19-11;/h1-4,8,10,14,17H,5-7H2,(H,15,18);1H.
What are the key properties of 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride?
5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 313.74 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120944619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).