4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole

C13H17Br2NO — CID 170458478

IUPAC4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C[C@@H]1[C@H](C=C(Br)Br)C1(C)C
InChIInChI=1S/C13H17Br2NO/c1-7-9(8(2)17-16-7)5-10-11(6-12(14)15)13(10,3)4/h6,10-11H,5H2,1-4H3/t10-,11+/m1/s1
InChIKeyZTEVCMOXJVIUAY-MNOVXSKESA-N
MW363.09 g/mol
LogP4.74
Rot. Bonds3

About 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 170458478) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID170458478
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C[C@@H]1[C@H](C=C(Br)Br)C1(C)C
InChIInChI=1S/C13H17Br2NO/c1-7-9(8(2)17-16-7)5-10-11(6-12(14)15)13(10,3)4/h6,10-11H,5H2,1-4H3/t10-,11+/m1/s1
InChIKeyZTEVCMOXJVIUAY-MNOVXSKESA-N
XLogP4.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole (CID 170458478) is 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C[C@@H]1[C@H](C=C(Br)Br)C1(C)C.
What is the InChIKey of 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZTEVCMOXJVIUAY-MNOVXSKESA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-7-9(8(2)17-16-7)5-10-11(6-12(14)15)13(10,3)4/h6,10-11H,5H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 363.09 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 170458478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).