5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole

C15H12BrN3O2 — CID 166252668

IUPAC5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ncoc1-c1noc([C@@H]2C[C@H]2c2ccc(Br)cc2)n1
InChIInChI=1S/C15H12BrN3O2/c1-8-13(20-7-17-8)14-18-15(21-19-14)12-6-11(12)9-2-4-10(16)5-3-9/h2-5,7,11-12H,6H2,1H3/t11-,12+/m0/s1
InChIKeyZEHMIGLOJIVORX-NWDGAFQWSA-N
MW346.18 g/mol
LogP4.07
Rot. Bonds3

About 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole

5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole (PubChem CID 166252668) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole
PubChem CID166252668
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ncoc1-c1noc([C@@H]2C[C@H]2c2ccc(Br)cc2)n1
InChIInChI=1S/C15H12BrN3O2/c1-8-13(20-7-17-8)14-18-15(21-19-14)12-6-11(12)9-2-4-10(16)5-3-9/h2-5,7,11-12H,6H2,1H3/t11-,12+/m0/s1
InChIKeyZEHMIGLOJIVORX-NWDGAFQWSA-N
XLogP4.07
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.07
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-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole (CID 166252668) is 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole is Cc1ncoc1-c1noc([C@@H]2C[C@H]2c2ccc(Br)cc2)n1.
What is the InChIKey of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is ZEHMIGLOJIVORX-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-8-13(20-7-17-8)14-18-15(21-19-14)12-6-11(12)9-2-4-10(16)5-3-9/h2-5,7,11-12H,6H2,1H3/t11-,12+/m0/s1.
What are the key properties of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole?
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 346.18 g/mol, XLogP of 4.07, 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-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166252668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).