(2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide

C26H24F3N3O3 — CID 165139582

IUPAC(2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1cc(F)c(C2CC2)c(F)c1)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ncco1
InChIInChI=1S/C26H24F3N3O3/c27-18-12-21(32(14-18)23(33)13-22-30-8-9-35-22)26(34)31-25(16-4-2-1-3-5-16)17-10-19(28)24(15-6-7-15)20(29)11-17/h1-5,8-11,15,18,21,25H,6-7,12-14H2,(H,31,34)/t18-,21+,25?/m1/s1
InChIKeyPQWJSRTUUWVULS-XQVBRHIYSA-N
MW483.49 g/mol
LogP4.22
Rot. Bonds7

About (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide

(2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 165139582) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID165139582
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name(2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1cc(F)c(C2CC2)c(F)c1)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ncco1
InChIInChI=1S/C26H24F3N3O3/c27-18-12-21(32(14-18)23(33)13-22-30-8-9-35-22)26(34)31-25(16-4-2-1-3-5-16)17-10-19(28)24(15-6-7-15)20(29)11-17/h1-5,8-11,15,18,21,25H,6-7,12-14H2,(H,31,34)/t18-,21+,25?/m1/s1
InChIKeyPQWJSRTUUWVULS-XQVBRHIYSA-N
XLogP4.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]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)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide (CID 165139582) is (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide is O=C(NC(c1ccccc1)c1cc(F)c(C2CC2)c(F)c1)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ncco1.
What is the InChIKey of (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is PQWJSRTUUWVULS-XQVBRHIYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c27-18-12-21(32(14-18)23(33)13-22-30-8-9-35-22)26(34)31-25(16-4-2-1-3-5-16)17-10-19(28)24(15-6-7-15)20(29)11-17/h1-5,8-11,15,18,21,25H,6-7,12-14H2,(H,31,34)/t18-,21+,25?/m1/s1.
What are the key properties of (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
(2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(4-cyclopropyl-3,5-difluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165139582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).