5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole

C11H10N4O2 — CID 100693663

IUPAC5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cncc1Cc1noc(-c2ccco2)n1
InChIInChI=1S/C11H10N4O2/c1-15-7-12-6-8(15)5-10-13-11(17-14-10)9-3-2-4-16-9/h2-4,6-7H,5H2,1H3
InChIKeyYAMJVNWLPRAOOC-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.65
Rot. Bonds3

About 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole

5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 100693663) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID100693663
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cncc1Cc1noc(-c2ccco2)n1
InChIInChI=1S/C11H10N4O2/c1-15-7-12-6-8(15)5-10-13-11(17-14-10)9-3-2-4-16-9/h2-4,6-7H,5H2,1H3
InChIKeyYAMJVNWLPRAOOC-UHFFFAOYSA-N
XLogP1.65
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-Bromofuran-2-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752709
4-[5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 699742
3-(5-Furan-2-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 577823
2-(furan-2-yl)-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
CID 664990
2-[5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 829955
N-(imidazo[1,2-a]pyridin-2-ylmethyl)furan-2-carboxamide
CID 6623870
3-(furan-2-yl)-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 53573854
3-(furan-2-yl)-5-[(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 53585789
2-{4-[3-(2-Furyl)-1,2,4-oxadiazol-5-yl]butanoyl}-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 56741498
5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 71932833
N-(2-(4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl)ethyl)furan-2-carboxamide
CID 86263614
[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 97382184

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole (CID 100693663) is 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole is Cn1cncc1Cc1noc(-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is YAMJVNWLPRAOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-15-7-12-6-8(15)5-10-13-11(17-14-10)9-3-2-4-16-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 230.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 100693663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).