(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole

C25H24BrNO — CID 102050789

IUPAC(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole
SMILESCC(C)(C)[C@@H]1N=C(c2ccccc2Br)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24BrNO/c1-24(2,3)23-25(18-12-6-4-7-13-18,19-14-8-5-9-15-19)28-22(27-23)20-16-10-11-17-21(20)26/h4-17,23H,1-3H3/t23-/m0/s1
InChIKeyIPHXORATWIMBGI-QHCPKHFHSA-N
MW434.38 g/mol
LogP6.58
Rot. Bonds3

About (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole

(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole (PubChem CID 102050789) has the molecular formula C25H24BrNO and a molecular weight of 434.38 g/mol. Its IUPAC name is (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole
PubChem CID102050789
Molecular FormulaC25H24BrNO
Molecular Weight434.38 g/mol
Exact Mass433.10
IUPAC Name(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole
SMILESCC(C)(C)[C@@H]1N=C(c2ccccc2Br)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24BrNO/c1-24(2,3)23-25(18-12-6-4-7-13-18,19-14-8-5-9-15-19)28-22(27-23)20-16-10-11-17-21(20)26/h4-17,23H,1-3H3/t23-/m0/s1
InChIKeyIPHXORATWIMBGI-QHCPKHFHSA-N
XLogP6.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-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

Related Compounds

(4S)-4-tert-butyl-2-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-5,5-diphenyl-4H-1,3-oxazole
CID 138376262
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol
CID 136843956
2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole
CID 53310587
(4S)-2-(3-bromothiophen-2-yl)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 122369541
(4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 11376555
4-benzyl-2-[2-(4-benzyl-5,5-diphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-diphenyl-4H-1,3-oxazole
CID 134338244
(4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine
CID 100940229
1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene
CID 19867481
(4S)-2-[3,5-bis[(4S)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 102176871
(4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine
CID 102295089
2-(2-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
CID 55028952

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole?
The IUPAC name of (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole (CID 102050789) is (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole?
The canonical SMILES for (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole is CC(C)(C)[C@@H]1N=C(c2ccccc2Br)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole?
The InChIKey is IPHXORATWIMBGI-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24BrNO/c1-24(2,3)23-25(18-12-6-4-7-13-18,19-14-8-5-9-15-19)28-22(27-23)20-16-10-11-17-21(20)26/h4-17,23H,1-3H3/t23-/m0/s1.
What are the key properties of (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole?
(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole has a molecular weight of 434.38 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole is sourced from PubChem (CID 102050789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).