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

C24H25N3O — CID 101406560

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

2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline (PubChem CID 101406560) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline.

Molecular Properties

• Compound Name: 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline
• PubChem CID: 101406560
• Molecular Formula: C24H25N3O
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.20
• IUPAC Name: 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline
• SMILES: CC(C)[C@H]1COC(c2ccccc2Nc2ccccc2-c2ccccc2N)=N1
• InChI: InChI=1S/C24H25N3O/c1-16(2)23-15-28-24(27-23)19-11-5-8-14-22(19)26-21-13-7-4-10-18(21)17-9-3-6-12-20(17)25/h3-14,16,23,26H,15,25H2,1-2H3/t23-/m1/s1
• InChIKey: VCVYXXVELJUZHH-HSZRJFAPSA-N
• XLogP: 5.48
• TPSA: 59.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline?

The IUPAC name of 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline (CID 101406560) is 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline.

What is the SMILES notation for 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline?

The canonical SMILES for 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline is CC(C)[C@H]1COC(c2ccccc2Nc2ccccc2-c2ccccc2N)=N1.

What is the InChIKey of 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline?

The InChIKey is VCVYXXVELJUZHH-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25N3O/c1-16(2)23-15-28-24(27-23)19-11-5-8-14-22(19)26-21-13-7-4-10-18(21)17-9-3-6-12-20(17)25/h3-14,16,23,26H,15,25H2,1-2H3/t23-/m1/s1.

What are the key properties of 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline?

2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline has a molecular weight of 371.48 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]anilino]phenyl]aniline is sourced from PubChem (CID 101406560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).