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

C16H18FN3O2 — CID 128991071

IUPAC(2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O2/c1-20-10-12(9-19-20)15-14(5-6-22-15)16(21)18-8-11-3-2-4-13(17)7-11/h2-4,7,9-10,14-15H,5-6,8H2,1H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyWGPZSBCINQZBKX-LSDHHAIUSA-N
MW303.34 g/mol
LogP1.95
Rot. Bonds4

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

(2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128991071) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128991071
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O2/c1-20-10-12(9-19-20)15-14(5-6-22-15)16(21)18-8-11-3-2-4-13(17)7-11/h2-4,7,9-10,14-15H,5-6,8H2,1H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyWGPZSBCINQZBKX-LSDHHAIUSA-N
XLogP1.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (CID 128991071) is (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is Cn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cccc(F)c2)cn1.
What is the InChIKey of (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is WGPZSBCINQZBKX-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-20-10-12(9-19-20)15-14(5-6-22-15)16(21)18-8-11-3-2-4-13(17)7-11/h2-4,7,9-10,14-15H,5-6,8H2,1H3,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128991071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).