(5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate

C23H28N2O4 — CID 11928845

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
SMILESC[C@H]1[C@H](N2C[C@H](C(=O)OCc3ncc(-c4ccccc4)o3)CC2=O)CCC[C@@H]1C
InChIInChI=1S/C23H28N2O4/c1-15-7-6-10-19(16(15)2)25-13-18(11-22(25)26)23(27)28-14-21-24-12-20(29-21)17-8-4-3-5-9-17/h3-5,8-9,12,15-16,18-19H,6-7,10-11,13-14H2,1-2H3/t15-,16+,18+,19+/m0/s1
InChIKeyIKZFHKOPLZRJCO-QFHJOOASSA-N
MW396.49 g/mol
LogP4.06
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate

(5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 11928845) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID11928845
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
SMILESC[C@H]1[C@H](N2C[C@H](C(=O)OCc3ncc(-c4ccccc4)o3)CC2=O)CCC[C@@H]1C
InChIInChI=1S/C23H28N2O4/c1-15-7-6-10-19(16(15)2)25-13-18(11-22(25)26)23(27)28-14-21-24-12-20(29-21)17-8-4-3-5-9-17/h3-5,8-9,12,15-16,18-19H,6-7,10-11,13-14H2,1-2H3/t15-,16+,18+,19+/m0/s1
InChIKeyIKZFHKOPLZRJCO-QFHJOOASSA-N
XLogP4.06
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate 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 (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate (CID 11928845) is (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate is C[C@H]1[C@H](N2C[C@H](C(=O)OCc3ncc(-c4ccccc4)o3)CC2=O)CCC[C@@H]1C.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is IKZFHKOPLZRJCO-QFHJOOASSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15-7-6-10-19(16(15)2)25-13-18(11-22(25)26)23(27)28-14-21-24-12-20(29-21)17-8-4-3-5-9-17/h3-5,8-9,12,15-16,18-19H,6-7,10-11,13-14H2,1-2H3/t15-,16+,18+,19+/m0/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 11928845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).