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

C46H34N4O2 — CID 164667882

IUPAC4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole
SMILESCn1c(-c2ccccc2)ccc1-c1nc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)n4C)c(-c4ccccc4)o3)cc2)oc1-c1ccccc1
InChIInChI=1S/C46H34N4O2/c1-49-37(31-15-7-3-8-16-31)27-29-39(49)41-43(33-19-11-5-12-20-33)51-45(47-41)35-23-25-36(26-24-35)46-48-42(44(52-46)34-21-13-6-14-22-34)40-30-28-38(50(40)2)32-17-9-4-10-18-32/h3-30H,1-2H3
InChIKeyHBDHBEDQEWAULM-UHFFFAOYSA-N
MW674.80 g/mol
LogP11.68
Rot. Bonds8

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

4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole (PubChem CID 164667882) has the molecular formula C46H34N4O2 and a molecular weight of 674.80 g/mol. Its IUPAC name is 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole
PubChem CID164667882
Molecular FormulaC46H34N4O2
Molecular Weight674.80 g/mol
Exact Mass674.27
IUPAC Name4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole
SMILESCn1c(-c2ccccc2)ccc1-c1nc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)n4C)c(-c4ccccc4)o3)cc2)oc1-c1ccccc1
InChIInChI=1S/C46H34N4O2/c1-49-37(31-15-7-3-8-16-31)27-29-39(49)41-43(33-19-11-5-12-20-33)51-45(47-41)35-23-25-36(26-24-35)46-48-42(44(52-46)34-21-13-6-14-22-34)40-30-28-38(50(40)2)32-17-9-4-10-18-32/h3-30H,1-2H3
InChIKeyHBDHBEDQEWAULM-UHFFFAOYSA-N
XLogP11.68
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole (CID 164667882) is 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole is Cn1c(-c2ccccc2)ccc1-c1nc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)n4C)c(-c4ccccc4)o3)cc2)oc1-c1ccccc1.
What is the InChIKey of 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole?
The InChIKey is HBDHBEDQEWAULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O2/c1-49-37(31-15-7-3-8-16-31)27-29-39(49)41-43(33-19-11-5-12-20-33)51-45(47-41)35-23-25-36(26-24-35)46-48-42(44(52-46)34-21-13-6-14-22-34)40-30-28-38(50(40)2)32-17-9-4-10-18-32/h3-30H,1-2H3.
What are the key properties of 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole?
4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole has a molecular weight of 674.80 g/mol, XLogP of 11.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 164667882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).