(2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

C17H20FN3O2 — CID 128992433

IUPAC(2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2cccc(F)c2)cn1
InChIInChI=1S/C17H20FN3O2/c1-21-11-13(10-20-21)16-15(6-8-23-16)17(22)19-7-5-12-3-2-4-14(18)9-12/h2-4,9-11,15-16H,5-8H2,1H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyWGNMZBJMMAISAX-JKSUJKDBSA-N
MW317.36 g/mol
LogP2.00
Rot. Bonds5

About (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128992433) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128992433
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2cccc(F)c2)cn1
InChIInChI=1S/C17H20FN3O2/c1-21-11-13(10-20-21)16-15(6-8-23-16)17(22)19-7-5-12-3-2-4-14(18)9-12/h2-4,9-11,15-16H,5-8H2,1H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyWGNMZBJMMAISAX-JKSUJKDBSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (CID 128992433) is (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is Cn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2cccc(F)c2)cn1.
What is the InChIKey of (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is WGNMZBJMMAISAX-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-21-11-13(10-20-21)16-15(6-8-23-16)17(22)19-7-5-12-3-2-4-14(18)9-12/h2-4,9-11,15-16H,5-8H2,1H3,(H,19,22)/t15-,16+/m0/s1.
What are the key properties of (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128992433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).