(4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C15H20BrNO — CID 11232131

IUPAC(4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(C)(C)c2ccccc2Br)=N1
InChIInChI=1S/C15H20BrNO/c1-10(2)13-9-18-14(17-13)15(3,4)11-7-5-6-8-12(11)16/h5-8,10,13H,9H2,1-4H3/t13-/m1/s1
InChIKeyHCNQNQGUIMPKLR-CYBMUJFWSA-N
MW310.24 g/mol
LogP4.18
Rot. Bonds3

About (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 11232131) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID11232131
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name(4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(C)(C)c2ccccc2Br)=N1
InChIInChI=1S/C15H20BrNO/c1-10(2)13-9-18-14(17-13)15(3,4)11-7-5-6-8-12(11)16/h5-8,10,13H,9H2,1-4H3/t13-/m1/s1
InChIKeyHCNQNQGUIMPKLR-CYBMUJFWSA-N
XLogP4.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 11232131) is (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C(C)(C)c2ccccc2Br)=N1.
What is the InChIKey of (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is HCNQNQGUIMPKLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10(2)13-9-18-14(17-13)15(3,4)11-7-5-6-8-12(11)16/h5-8,10,13H,9H2,1-4H3/t13-/m1/s1.
What are the key properties of (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 310.24 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11232131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).