[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride

C15H20ClN5O5 — CID 120865283

IUPAC[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
SMILESCNC(C)Cc1noc(C2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1.Cl
InChIInChI=1S/C15H19N5O5.ClH/c1-9(16-2)8-12-17-14(25-18-12)10-4-3-7-19(10)15(21)11-5-6-13(24-11)20(22)23;/h5-6,9-10,16H,3-4,7-8H2,1-2H3;1H
InChIKeyVHECOIQVERBCRN-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.12
Rot. Bonds6

About [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride

[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride (PubChem CID 120865283) has the molecular formula C15H20ClN5O5 and a molecular weight of 385.81 g/mol. Its IUPAC name is [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
PubChem CID120865283
Molecular FormulaC15H20ClN5O5
Molecular Weight385.81 g/mol
Exact Mass385.12
IUPAC Name[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
SMILESCNC(C)Cc1noc(C2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1.Cl
InChIInChI=1S/C15H19N5O5.ClH/c1-9(16-2)8-12-17-14(25-18-12)10-4-3-7-19(10)15(21)11-5-6-13(24-11)20(22)23;/h5-6,9-10,16H,3-4,7-8H2,1-2H3;1H
InChIKeyVHECOIQVERBCRN-UHFFFAOYSA-N
XLogP2.12
TPSA127.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 120866033
(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride
CID 120865752
1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120868817
[2-(difluoromethoxy)phenyl]-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 120865046
(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 56686247
(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845
(2R)-2-amino-1-[2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119323885
[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 755150
(5-nitrofuran-2-yl)-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 51307936
N-methyl-1-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078063
[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119489082
methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate
CID 115280144

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?
The IUPAC name of [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride (CID 120865283) is [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride is CNC(C)Cc1noc(C2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1.Cl.
What is the InChIKey of [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?
The InChIKey is VHECOIQVERBCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5.ClH/c1-9(16-2)8-12-17-14(25-18-12)10-4-3-7-19(10)15(21)11-5-6-13(24-11)20(22)23;/h5-6,9-10,16H,3-4,7-8H2,1-2H3;1H.
What are the key properties of [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?
[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride has a molecular weight of 385.81 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120865283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).