2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one

C34H32N2O5 — CID 58044983

IUPAC2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one
SMILESCOc1ccc(C(=O)C2=C(OCc3ccccc3)C(=O)N(c3ccc(-c4ncco4)cc3)C2C2CCCCC2)cc1
InChIInChI=1S/C34H32N2O5/c1-39-28-18-14-25(15-19-28)31(37)29-30(24-10-6-3-7-11-24)36(27-16-12-26(13-17-27)33-35-20-21-40-33)34(38)32(29)41-22-23-8-4-2-5-9-23/h2,4-5,8-9,12-21,24,30H,3,6-7,10-11,22H2,1H3
InChIKeyAPAIIAKRJHSNBW-UHFFFAOYSA-N
MW548.64 g/mol
LogP7.00
Rot. Bonds9

About 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one

2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one (PubChem CID 58044983) has the molecular formula C34H32N2O5 and a molecular weight of 548.64 g/mol. Its IUPAC name is 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one
PubChem CID58044983
Molecular FormulaC34H32N2O5
Molecular Weight548.64 g/mol
Exact Mass548.23
IUPAC Name2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one
SMILESCOc1ccc(C(=O)C2=C(OCc3ccccc3)C(=O)N(c3ccc(-c4ncco4)cc3)C2C2CCCCC2)cc1
InChIInChI=1S/C34H32N2O5/c1-39-28-18-14-25(15-19-28)31(37)29-30(24-10-6-3-7-11-24)36(27-16-12-26(13-17-27)33-35-20-21-40-33)34(38)32(29)41-22-23-8-4-2-5-9-23/h2,4-5,8-9,12-21,24,30H,3,6-7,10-11,22H2,1H3
InChIKeyAPAIIAKRJHSNBW-UHFFFAOYSA-N
XLogP7.00
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one?
The IUPAC name of 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one (CID 58044983) is 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one.
What is the SMILES notation for 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one?
The canonical SMILES for 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one is COc1ccc(C(=O)C2=C(OCc3ccccc3)C(=O)N(c3ccc(-c4ncco4)cc3)C2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one?
The InChIKey is APAIIAKRJHSNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O5/c1-39-28-18-14-25(15-19-28)31(37)29-30(24-10-6-3-7-11-24)36(27-16-12-26(13-17-27)33-35-20-21-40-33)34(38)32(29)41-22-23-8-4-2-5-9-23/h2,4-5,8-9,12-21,24,30H,3,6-7,10-11,22H2,1H3.
What are the key properties of 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one?
2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one has a molecular weight of 548.64 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-phenylmethoxy-2H-pyrrol-5-one is sourced from PubChem (CID 58044983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).