4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one

C27H28N2O6 — CID 58365664

IUPAC4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one
SMILESCc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)C3c3ccccc3OCCO)cc2)on1
InChIInChI=1S/C27H28N2O6/c1-16(2)14-21(31)24-25(20-6-4-5-7-22(20)34-13-12-30)29(27(33)26(24)32)19-10-8-18(9-11-19)23-15-17(3)28-35-23/h4-11,15-16,25,30,32H,12-14H2,1-3H3
InChIKeyNFCZUCLOPNWSPB-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.54
Rot. Bonds9

About 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one

4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one (PubChem CID 58365664) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one
PubChem CID58365664
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC Name4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one
SMILESCc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)C3c3ccccc3OCCO)cc2)on1
InChIInChI=1S/C27H28N2O6/c1-16(2)14-21(31)24-25(20-6-4-5-7-22(20)34-13-12-30)29(27(33)26(24)32)19-10-8-18(9-11-19)23-15-17(3)28-35-23/h4-11,15-16,25,30,32H,12-14H2,1-3H3
InChIKeyNFCZUCLOPNWSPB-UHFFFAOYSA-N
XLogP4.54
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-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 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one (CID 58365664) is 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one is Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)C3c3ccccc3OCCO)cc2)on1.
What is the InChIKey of 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one?
The InChIKey is NFCZUCLOPNWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6/c1-16(2)14-21(31)24-25(20-6-4-5-7-22(20)34-13-12-30)29(27(33)26(24)32)19-10-8-18(9-11-19)23-15-17(3)28-35-23/h4-11,15-16,25,30,32H,12-14H2,1-3H3.
What are the key properties of 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one?
4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one has a molecular weight of 476.53 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(3-methylbutanoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 58365664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).