N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide

C26H26F3N3O3 — CID 165138415

IUPACN-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1c(F)cc(C(NC(=O)C2CC(F)CN2C(=O)Cc2ncco2)c2ccccc2)cc1F
InChIInChI=1S/C26H26F3N3O3/c1-15(2)24-19(28)10-17(11-20(24)29)25(16-6-4-3-5-7-16)31-26(34)21-12-18(27)14-32(21)23(33)13-22-30-8-9-35-22/h3-11,15,18,21,25H,12-14H2,1-2H3,(H,31,34)
InChIKeyCUMMUJLGSMGZSS-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.46
Rot. Bonds7

About N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide

N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 165138415) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID165138415
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC NameN-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1c(F)cc(C(NC(=O)C2CC(F)CN2C(=O)Cc2ncco2)c2ccccc2)cc1F
InChIInChI=1S/C26H26F3N3O3/c1-15(2)24-19(28)10-17(11-20(24)29)25(16-6-4-3-5-7-16)31-26(34)21-12-18(27)14-32(21)23(33)13-22-30-8-9-35-22/h3-11,15,18,21,25H,12-14H2,1-2H3,(H,31,34)
InChIKeyCUMMUJLGSMGZSS-UHFFFAOYSA-N
XLogP4.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide (CID 165138415) is N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide is CC(C)c1c(F)cc(C(NC(=O)C2CC(F)CN2C(=O)Cc2ncco2)c2ccccc2)cc1F.
What is the InChIKey of N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is CUMMUJLGSMGZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c1-15(2)24-19(28)10-17(11-20(24)29)25(16-6-4-3-5-7-16)31-26(34)21-12-18(27)14-32(21)23(33)13-22-30-8-9-35-22/h3-11,15,18,21,25H,12-14H2,1-2H3,(H,31,34).
What are the key properties of N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165138415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).