(2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide

C21H28FN3O3 — CID 129323458

IUPAC(2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)Cc1ccccc1F
InChIInChI=1S/C21H28FN3O3/c1-15(14-16-6-3-4-7-18(16)22)24-21(26)17-9-13-28-20(17)19-8-10-23-25(19)11-5-12-27-2/h3-4,6-8,10,15,17,20H,5,9,11-14H2,1-2H3,(H,24,26)/t15-,17+,20+/m1/s1
InChIKeyAQWKTEFQGFXTGU-SYNHAJSKSA-N
MW389.47 g/mol
LogP2.88
Rot. Bonds9

About (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide

(2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 129323458) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID129323458
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name(2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)Cc1ccccc1F
InChIInChI=1S/C21H28FN3O3/c1-15(14-16-6-3-4-7-18(16)22)24-21(26)17-9-13-28-20(17)19-8-10-23-25(19)11-5-12-27-2/h3-4,6-8,10,15,17,20H,5,9,11-14H2,1-2H3,(H,24,26)/t15-,17+,20+/m1/s1
InChIKeyAQWKTEFQGFXTGU-SYNHAJSKSA-N
XLogP2.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-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,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide (CID 129323458) is (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide is COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)Cc1ccccc1F.
What is the InChIKey of (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is AQWKTEFQGFXTGU-SYNHAJSKSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-15(14-16-6-3-4-7-18(16)22)24-21(26)17-9-13-28-20(17)19-8-10-23-25(19)11-5-12-27-2/h3-4,6-8,10,15,17,20H,5,9,11-14H2,1-2H3,(H,24,26)/t15-,17+,20+/m1/s1.
What are the key properties of (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide?
(2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 129323458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).