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

C14H14N4O2 — CID 100693651

IUPAC5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cncc1Cc1noc([C@H]2C[C@H]2c2ccco2)n1
InChIInChI=1S/C14H14N4O2/c1-18-8-15-7-9(18)5-13-16-14(20-17-13)11-6-10(11)12-3-2-4-19-12/h2-4,7-8,10-11H,5-6H2,1H3/t10-,11+/m1/s1
InChIKeyYDYJZBSODBYPMQ-MNOVXSKESA-N
MW270.29 g/mol
LogP2.26
Rot. Bonds4

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

5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 100693651) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID100693651
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cncc1Cc1noc([C@H]2C[C@H]2c2ccco2)n1
InChIInChI=1S/C14H14N4O2/c1-18-8-15-7-9(18)5-13-16-14(20-17-13)11-6-10(11)12-3-2-4-19-12/h2-4,7-8,10-11H,5-6H2,1H3/t10-,11+/m1/s1
InChIKeyYDYJZBSODBYPMQ-MNOVXSKESA-N
XLogP2.26
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole (CID 100693651) is 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole is Cn1cncc1Cc1noc([C@H]2C[C@H]2c2ccco2)n1.
What is the InChIKey of 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is YDYJZBSODBYPMQ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-8-15-7-9(18)5-13-16-14(20-17-13)11-6-10(11)12-3-2-4-19-12/h2-4,7-8,10-11H,5-6H2,1H3/t10-,11+/m1/s1.
What are the key properties of 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 100693651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).