(2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide

C30H35F4N5O3 — CID 53482932

IUPAC(2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide
SMILESCOC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C30H35F4N5O3/c1-30(2,41-3)26(38(17-19-14-35-15-24(19)34)29(40)25-8-5-11-42-25)28-36-27(22-13-21(32)9-10-23(22)33)37-39(28)16-18-6-4-7-20(31)12-18/h4,6-7,9-10,12-13,19,24-26,35H,5,8,11,14-17H2,1-3H3/t19-,24-,25-,26-/m0/s1
InChIKeyHSPPNWKZHJPJBS-UBLBMGLWSA-N
MW589.63 g/mol
LogP4.44
Rot. Bonds10

About (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide

(2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide (PubChem CID 53482932) has the molecular formula C30H35F4N5O3 and a molecular weight of 589.63 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide
PubChem CID53482932
Molecular FormulaC30H35F4N5O3
Molecular Weight589.63 g/mol
Exact Mass589.27
IUPAC Name(2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide
SMILESCOC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C30H35F4N5O3/c1-30(2,41-3)26(38(17-19-14-35-15-24(19)34)29(40)25-8-5-11-42-25)28-36-27(22-13-21(32)9-10-23(22)33)37-39(28)16-18-6-4-7-20(31)12-18/h4,6-7,9-10,12-13,19,24-26,35H,5,8,11,14-17H2,1-3H3/t19-,24-,25-,26-/m0/s1
InChIKeyHSPPNWKZHJPJBS-UBLBMGLWSA-N
XLogP4.44
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.63
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-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)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide (CID 53482932) is (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide is COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The InChIKey is HSPPNWKZHJPJBS-UBLBMGLWSA-N. The full InChI is InChI=1S/C30H35F4N5O3/c1-30(2,41-3)26(38(17-19-14-35-15-24(19)34)29(40)25-8-5-11-42-25)28-36-27(22-13-21(32)9-10-23(22)33)37-39(28)16-18-6-4-7-20(31)12-18/h4,6-7,9-10,12-13,19,24-26,35H,5,8,11,14-17H2,1-3H3/t19-,24-,25-,26-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
(2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide has a molecular weight of 589.63 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-2-methylpropyl]-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 53482932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).