(5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole

C10H10BrNO — CID 125477090

IUPAC(5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC[C@H](c2ccccc2Br)O1
InChIInChI=1S/C10H10BrNO/c1-7-12-6-10(13-7)8-4-2-3-5-9(8)11/h2-5,10H,6H2,1H3/t10-/m1/s1
InChIKeyNUVHZKAECLJYNI-SNVBAGLBSA-N
MW240.10 g/mol
LogP2.94
Rot. Bonds1

About (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole

(5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 125477090) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID125477090
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC[C@H](c2ccccc2Br)O1
InChIInChI=1S/C10H10BrNO/c1-7-12-6-10(13-7)8-4-2-3-5-9(8)11/h2-5,10H,6H2,1H3/t10-/m1/s1
InChIKeyNUVHZKAECLJYNI-SNVBAGLBSA-N
XLogP2.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
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CID 104944590
2-(2-bromophenyl)-5-methyl-1,4-oxazepane
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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole (CID 125477090) is (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole is CC1=NC[C@H](c2ccccc2Br)O1.
What is the InChIKey of (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NUVHZKAECLJYNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7-12-6-10(13-7)8-4-2-3-5-9(8)11/h2-5,10H,6H2,1H3/t10-/m1/s1.
What are the key properties of (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
(5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 240.10 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 125477090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).