2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline

C32H29N3O2 — CID 11049225

IUPAC2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
SMILESc1ccc(C[C@H]2COC(c3ccccc3Nc3ccccc3C3=N[C@@H](Cc4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C32H29N3O2/c1-3-11-23(12-4-1)19-25-21-36-31(33-25)27-15-7-9-17-29(27)35-30-18-10-8-16-28(30)32-34-26(22-37-32)20-24-13-5-2-6-14-24/h1-18,25-26,35H,19-22H2/t25-,26-/m0/s1
InChIKeyLQIISXXWLZLKMK-UIOOFZCWSA-N
MW487.60 g/mol
LogP6.21
Rot. Bonds8

About 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline

2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline (PubChem CID 11049225) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
PubChem CID11049225
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
SMILESc1ccc(C[C@H]2COC(c3ccccc3Nc3ccccc3C3=N[C@@H](Cc4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C32H29N3O2/c1-3-11-23(12-4-1)19-25-21-36-31(33-25)27-15-7-9-17-29(27)35-30-18-10-8-16-28(30)32-34-26(22-37-32)20-24-13-5-2-6-14-24/h1-18,25-26,35H,19-22H2/t25-,26-/m0/s1
InChIKeyLQIISXXWLZLKMK-UIOOFZCWSA-N
XLogP6.21
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline 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

1-Benzyl-4-(benzyloxy)-2,1,3-benzothiadiazine 2,2-Dioxide
CID 480972
2-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-N-{2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]phenyl}benzenamine
CID 10916509
N1,N2-bis({2-[(4S)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl})benzene-1,2-diamine
CID 101887323
(3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 53325290
N1,N2-Bis(2-((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)phenyl)benzene-1,2-diamine
CID 72164611
2-[(4s)-4-Phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
CID 101254237
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)aniline
CID 85314388
2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-N-(2-fluorophenyl)-aniline
CID 129855615
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3-fluorophenyl]-3-fluoroaniline
CID 134952367
bis(2-((S)-4-Phenyl-4,5-dihydrooxazol-2-yl)phenyl)amine
CID 10994174
Bis[2-((4S)-4,5-dihydro-4-isopropyloxazol-2-yl)phenyl]amine
CID 11003687
Bis[2-((4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)phenyl]amine
CID 11026189

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The IUPAC name of 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline (CID 11049225) is 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline.
What is the SMILES notation for 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The canonical SMILES for 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline is c1ccc(C[C@H]2COC(c3ccccc3Nc3ccccc3C3=N[C@@H](Cc4ccccc4)CO3)=N2)cc1.
What is the InChIKey of 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
The InChIKey is LQIISXXWLZLKMK-UIOOFZCWSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-3-11-23(12-4-1)19-25-21-36-31(33-25)27-15-7-9-17-29(27)35-30-18-10-8-16-28(30)32-34-26(22-37-32)20-24-13-5-2-6-14-24/h1-18,25-26,35H,19-22H2/t25-,26-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline?
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline has a molecular weight of 487.60 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline is sourced from PubChem (CID 11049225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).