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

C15H12BrN3OS — CID 166332360

IUPAC5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nscc1-c1noc([C@@H]2C[C@H]2c2ccc(Br)cc2)n1
InChIInChI=1S/C15H12BrN3OS/c1-8-13(7-21-19-8)14-17-15(20-18-14)12-6-11(12)9-2-4-10(16)5-3-9/h2-5,7,11-12H,6H2,1H3/t11-,12+/m0/s1
InChIKeyWWKOPLFSFMKVJI-NWDGAFQWSA-N
MW362.25 g/mol
LogP4.54
Rot. Bonds3

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

5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 166332360) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole
PubChem CID166332360
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nscc1-c1noc([C@@H]2C[C@H]2c2ccc(Br)cc2)n1
InChIInChI=1S/C15H12BrN3OS/c1-8-13(7-21-19-8)14-17-15(20-18-14)12-6-11(12)9-2-4-10(16)5-3-9/h2-5,7,11-12H,6H2,1H3/t11-,12+/m0/s1
InChIKeyWWKOPLFSFMKVJI-NWDGAFQWSA-N
XLogP4.54
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 166252668
3-[[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 166235865
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole
CID 166332357
2-methyl-3-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 19330699
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
CID 167931430
4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130466695
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 166252699
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
1-[3-[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one
CID 167755821
3-(3-bromothiophen-2-yl)-5-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole
CID 136585288

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole (CID 166332360) is 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole is Cc1nscc1-c1noc([C@@H]2C[C@H]2c2ccc(Br)cc2)n1.
What is the InChIKey of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is WWKOPLFSFMKVJI-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-8-13(7-21-19-8)14-17-15(20-18-14)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-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole?
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 362.25 g/mol, XLogP of 4.54, 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-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166332360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).