(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide

C18H21ClFN3O3 — CID 128966683

IUPAC(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)NCC(O)c2c(F)cccc2Cl)cnn1C
InChIInChI=1S/C18H21ClFN3O3/c1-10-12(8-22-23(10)2)17-11(6-7-26-17)18(25)21-9-15(24)16-13(19)4-3-5-14(16)20/h3-5,8,11,15,17,24H,6-7,9H2,1-2H3,(H,21,25)/t11-,15?,17-/m0/s1
InChIKeyHFJRNYRWZAOJIQ-QRCISCNUSA-N
MW381.84 g/mol
LogP2.45
Rot. Bonds5

About (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128966683) has the molecular formula C18H21ClFN3O3 and a molecular weight of 381.84 g/mol. Its IUPAC name is (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128966683
Molecular FormulaC18H21ClFN3O3
Molecular Weight381.84 g/mol
Exact Mass381.13
IUPAC Name(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)NCC(O)c2c(F)cccc2Cl)cnn1C
InChIInChI=1S/C18H21ClFN3O3/c1-10-12(8-22-23(10)2)17-11(6-7-26-17)18(25)21-9-15(24)16-13(19)4-3-5-14(16)20/h3-5,8,11,15,17,24H,6-7,9H2,1-2H3,(H,21,25)/t11-,15?,17-/m0/s1
InChIKeyHFJRNYRWZAOJIQ-QRCISCNUSA-N
XLogP2.45
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-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-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide (CID 128966683) is (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide is Cc1c([C@H]2OCC[C@@H]2C(=O)NCC(O)c2c(F)cccc2Cl)cnn1C.
What is the InChIKey of (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is HFJRNYRWZAOJIQ-QRCISCNUSA-N. The full InChI is InChI=1S/C18H21ClFN3O3/c1-10-12(8-22-23(10)2)17-11(6-7-26-17)18(25)21-9-15(24)16-13(19)4-3-5-14(16)20/h3-5,8,11,15,17,24H,6-7,9H2,1-2H3,(H,21,25)/t11-,15?,17-/m0/s1.
What are the key properties of (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128966683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).