N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C24H28F3N3O5 — CID 91058439

IUPACN-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(CO[C@H]1CCCCO1)c1cc(NC(=O)C2C(=O)CCN2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C24H28F3N3O5/c1-23(2,14-34-20-5-3-4-12-33-20)18-13-19(35-29-18)28-22(32)21-17(31)10-11-30(21)16-8-6-15(7-9-16)24(25,26)27/h6-9,13,20-21H,3-5,10-12,14H2,1-2H3,(H,28,32)/t20-,21?/m0/s1
InChIKeyGZYNFWJWNMORDB-BGERDNNASA-N
MW495.50 g/mol
LogP4.30
Rot. Bonds7

About N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 91058439) has the molecular formula C24H28F3N3O5 and a molecular weight of 495.50 g/mol. Its IUPAC name is N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID91058439
Molecular FormulaC24H28F3N3O5
Molecular Weight495.50 g/mol
Exact Mass495.20
IUPAC NameN-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(CO[C@H]1CCCCO1)c1cc(NC(=O)C2C(=O)CCN2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C24H28F3N3O5/c1-23(2,14-34-20-5-3-4-12-33-20)18-13-19(35-29-18)28-22(32)21-17(31)10-11-30(21)16-8-6-15(7-9-16)24(25,26)27/h6-9,13,20-21H,3-5,10-12,14H2,1-2H3,(H,28,32)/t20-,21?/m0/s1
InChIKeyGZYNFWJWNMORDB-BGERDNNASA-N
XLogP4.30
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 91058439) is N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CC(C)(CO[C@H]1CCCCO1)c1cc(NC(=O)C2C(=O)CCN2c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GZYNFWJWNMORDB-BGERDNNASA-N. The full InChI is InChI=1S/C24H28F3N3O5/c1-23(2,14-34-20-5-3-4-12-33-20)18-13-19(35-29-18)28-22(32)21-17(31)10-11-30(21)16-8-6-15(7-9-16)24(25,26)27/h6-9,13,20-21H,3-5,10-12,14H2,1-2H3,(H,28,32)/t20-,21?/m0/s1.
What are the key properties of N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 495.50 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91058439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).