2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole

C25H22N2O2 — CID 127263038

IUPAC2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1C1=NC(c2ccc(C3=NOC(c4ccccc4)C3)cc2)CO1
InChIInChI=1S/C25H22N2O2/c1-17-7-5-6-10-21(17)25-26-23(16-28-25)19-13-11-18(12-14-19)22-15-24(29-27-22)20-8-3-2-4-9-20/h2-14,23-24H,15-16H2,1H3
InChIKeyVIIHJCVVDQKENV-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.38
Rot. Bonds4

About 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole

2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 127263038) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID127263038
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1C1=NC(c2ccc(C3=NOC(c4ccccc4)C3)cc2)CO1
InChIInChI=1S/C25H22N2O2/c1-17-7-5-6-10-21(17)25-26-23(16-28-25)19-13-11-18(12-14-19)22-15-24(29-27-22)20-8-3-2-4-9-20/h2-14,23-24H,15-16H2,1H3
InChIKeyVIIHJCVVDQKENV-UHFFFAOYSA-N
XLogP5.38
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole (CID 127263038) is 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole is Cc1ccccc1C1=NC(c2ccc(C3=NOC(c4ccccc4)C3)cc2)CO1.
What is the InChIKey of 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VIIHJCVVDQKENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-7-5-6-10-21(17)25-26-23(16-28-25)19-13-11-18(12-14-19)22-15-24(29-27-22)20-8-3-2-4-9-20/h2-14,23-24H,15-16H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 382.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 127263038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).