(2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide

C19H24ClN3O4 — CID 67953409

IUPAC(2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide
SMILESCOCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H24ClN3O4/c1-19(2,11-26-3)16-9-17(27-22-16)21-18(25)15-8-14(24)10-23(15)13-6-4-12(20)5-7-13/h4-7,9,14-15,24H,8,10-11H2,1-3H3,(H,21,25)/t14-,15+/m1/s1
InChIKeySOQQHSKPNYTODY-CABCVRRESA-N
MW393.87 g/mol
LogP2.83
Rot. Bonds6

About (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide

(2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide (PubChem CID 67953409) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide
PubChem CID67953409
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name(2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide
SMILESCOCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H24ClN3O4/c1-19(2,11-26-3)16-9-17(27-22-16)21-18(25)15-8-14(24)10-23(15)13-6-4-12(20)5-7-13/h4-7,9,14-15,24H,8,10-11H2,1-3H3,(H,21,25)/t14-,15+/m1/s1
InChIKeySOQQHSKPNYTODY-CABCVRRESA-N
XLogP2.83
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide 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 (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide (CID 67953409) is (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide is COCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccc(Cl)cc2)on1.
What is the InChIKey of (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is SOQQHSKPNYTODY-CABCVRRESA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-19(2,11-26-3)16-9-17(27-22-16)21-18(25)15-8-14(24)10-23(15)13-6-4-12(20)5-7-13/h4-7,9,14-15,24H,8,10-11H2,1-3H3,(H,21,25)/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide?
(2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).