(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide

C27H33FN6O4 — CID 146151273

IUPAC(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C(C)(C)C)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C27H33FN6O4/c1-15(25-29-12-22(38-25)17-7-9-18(28)10-8-17)30-24(36)21-11-19(35)13-33(21)26(37)23(27(2,3)4)34-14-20(31-32-34)16-5-6-16/h7-10,12,14-16,19,21,23,35H,5-6,11,13H2,1-4H3,(H,30,36)/t15?,19-,21+,23-/m1/s1
InChIKeyQGBNBFQYEUSCOS-LEJWVPTQSA-N
MW524.60 g/mol
LogP3.38
Rot. Bonds7

About (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 146151273) has the molecular formula C27H33FN6O4 and a molecular weight of 524.60 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID146151273
Molecular FormulaC27H33FN6O4
Molecular Weight524.60 g/mol
Exact Mass524.25
IUPAC Name(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C(C)(C)C)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C27H33FN6O4/c1-15(25-29-12-22(38-25)17-7-9-18(28)10-8-17)30-24(36)21-11-19(35)13-33(21)26(37)23(27(2,3)4)34-14-20(31-32-34)16-5-6-16/h7-10,12,14-16,19,21,23,35H,5-6,11,13H2,1-4H3,(H,30,36)/t15?,19-,21+,23-/m1/s1
InChIKeyQGBNBFQYEUSCOS-LEJWVPTQSA-N
XLogP3.38
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-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-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 146151273) is (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide is CC(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C(C)(C)C)c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QGBNBFQYEUSCOS-LEJWVPTQSA-N. The full InChI is InChI=1S/C27H33FN6O4/c1-15(25-29-12-22(38-25)17-7-9-18(28)10-8-17)30-24(36)21-11-19(35)13-33(21)26(37)23(27(2,3)4)34-14-20(31-32-34)16-5-6-16/h7-10,12,14-16,19,21,23,35H,5-6,11,13H2,1-4H3,(H,30,36)/t15?,19-,21+,23-/m1/s1.
What are the key properties of (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 524.60 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 146151273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).