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

C24H21N3O2 — CID 3235850

IUPAC5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Cn1cccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C24H21N3O2/c1-17-20(25-23(29-17)19-11-6-3-7-12-19)15-27-14-8-13-22(27)24-26-21(16-28-24)18-9-4-2-5-10-18/h2-14,21H,15-16H2,1H3
InChIKeyKBSCTGNEANFMTI-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.02
Rot. Bonds5

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

5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole (PubChem CID 3235850) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole
PubChem CID3235850
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Cn1cccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C24H21N3O2/c1-17-20(25-23(29-17)19-11-6-3-7-12-19)15-27-14-8-13-22(27)24-26-21(16-28-24)18-9-4-2-5-10-18/h2-14,21H,15-16H2,1H3
InChIKeyKBSCTGNEANFMTI-UHFFFAOYSA-N
XLogP5.02
TPSA52.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole (CID 3235850) is 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1Cn1cccc1C1=NC(c2ccccc2)CO1.
What is the InChIKey of 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole?
The InChIKey is KBSCTGNEANFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-20(25-23(29-17)19-11-6-3-7-12-19)15-27-14-8-13-22(27)24-26-21(16-28-24)18-9-4-2-5-10-18/h2-14,21H,15-16H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole has a molecular weight of 383.45 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 3235850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).