N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C11H15IN6O2 — CID 5299479

IUPACN-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1nc(Cn2cc(I)cn2)no1
InChIInChI=1S/C11H15IN6O2/c1-17(2)4-3-13-10(19)11-15-9(16-20-11)7-18-6-8(12)5-14-18/h5-6H,3-4,7H2,1-2H3,(H,13,19)
InChIKeyARKCBSGESOPAGB-UHFFFAOYSA-N
MW390.19 g/mol
LogP0.21
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5299479) has the molecular formula C11H15IN6O2 and a molecular weight of 390.19 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5299479
Molecular FormulaC11H15IN6O2
Molecular Weight390.19 g/mol
Exact Mass390.03
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1nc(Cn2cc(I)cn2)no1
InChIInChI=1S/C11H15IN6O2/c1-17(2)4-3-13-10(19)11-15-9(16-20-11)7-18-6-8(12)5-14-18/h5-6H,3-4,7H2,1-2H3,(H,13,19)
InChIKeyARKCBSGESOPAGB-UHFFFAOYSA-N
XLogP0.21
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5297979
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53626016
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
N-(2-aminoethyl)-3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027143
Ethyl 3-((4-iodo-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
CID 4912835
N-(2-aminoethyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027145
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 53568750
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53606012
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53618403
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53626023
5-[(4-Iodopyrazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72130222
N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-methyl-1H-pyrazol-1-yl)propanamide
CID 91842632

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5299479) is N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CN(C)CCNC(=O)c1nc(Cn2cc(I)cn2)no1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ARKCBSGESOPAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN6O2/c1-17(2)4-3-13-10(19)11-15-9(16-20-11)7-18-6-8(12)5-14-18/h5-6H,3-4,7H2,1-2H3,(H,13,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 390.19 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5299479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).