(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide

C18H17FN4O2S — CID 128966164

IUPAC(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide
SMILESO=C(NCc1cscn1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c19-12-1-3-14(4-2-12)23-16(5-7-22-23)17-15(6-8-25-17)18(24)20-9-13-10-26-11-21-13/h1-5,7,10-11,15,17H,6,8-9H2,(H,20,24)/t15-,17-/m0/s1
InChIKeyGFOMAAMPQYQLIN-RDJZCZTQSA-N
MW372.43 g/mol
LogP2.86
Rot. Bonds5

About (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide

(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide (PubChem CID 128966164) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide
PubChem CID128966164
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide
SMILESO=C(NCc1cscn1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c19-12-1-3-14(4-2-12)23-16(5-7-22-23)17-15(6-8-25-17)18(24)20-9-13-10-26-11-21-13/h1-5,7,10-11,15,17H,6,8-9H2,(H,20,24)/t15-,17-/m0/s1
InChIKeyGFOMAAMPQYQLIN-RDJZCZTQSA-N
XLogP2.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide (CID 128966164) is (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide is O=C(NCc1cscn1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide?
The InChIKey is GFOMAAMPQYQLIN-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-12-1-3-14(4-2-12)23-16(5-7-22-23)17-15(6-8-25-17)18(24)20-9-13-10-26-11-21-13/h1-5,7,10-11,15,17H,6,8-9H2,(H,20,24)/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide?
(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 128966164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).