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

C10H11FN4O — CID 167840181

IUPAC5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cncc1-c1noc([C@@H]2C[C@H]2CF)n1
InChIInChI=1S/C10H11FN4O/c1-15-5-12-4-8(15)9-13-10(16-14-9)7-2-6(7)3-11/h4-7H,2-3H2,1H3/t6-,7+/m0/s1
InChIKeyZPESNEZMCBNNIH-NKWVEPMBSA-N
MW222.22 g/mol
LogP1.54
Rot. Bonds3

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

5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole (PubChem CID 167840181) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole
PubChem CID167840181
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cncc1-c1noc([C@@H]2C[C@H]2CF)n1
InChIInChI=1S/C10H11FN4O/c1-15-5-12-4-8(15)9-13-10(16-14-9)7-2-6(7)3-11/h4-7H,2-3H2,1H3/t6-,7+/m0/s1
InChIKeyZPESNEZMCBNNIH-NKWVEPMBSA-N
XLogP1.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole (CID 167840181) is 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole is Cn1cncc1-c1noc([C@@H]2C[C@H]2CF)n1.
What is the InChIKey of 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is ZPESNEZMCBNNIH-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-15-5-12-4-8(15)9-13-10(16-14-9)7-2-6(7)3-11/h4-7H,2-3H2,1H3/t6-,7+/m0/s1.
What are the key properties of 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole?
5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 222.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167840181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).