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

C19H19FN4O2S — CID 128966170

IUPAC(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCc1nccs1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2S/c20-13-1-3-14(4-2-13)24-16(5-9-23-24)18-15(7-11-26-18)19(25)22-8-6-17-21-10-12-27-17/h1-5,9-10,12,15,18H,6-8,11H2,(H,22,25)/t15-,18-/m0/s1
InChIKeyUXMCPRTVXJPKHL-YJBOKZPZSA-N
MW386.45 g/mol
LogP2.90
Rot. Bonds6

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

(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 128966170) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID128966170
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCc1nccs1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2S/c20-13-1-3-14(4-2-13)24-16(5-9-23-24)18-15(7-11-26-18)19(25)22-8-6-17-21-10-12-27-17/h1-5,9-10,12,15,18H,6-8,11H2,(H,22,25)/t15-,18-/m0/s1
InChIKeyUXMCPRTVXJPKHL-YJBOKZPZSA-N
XLogP2.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.90
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-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (CID 128966170) is (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is O=C(NCCc1nccs1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is UXMCPRTVXJPKHL-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-13-1-3-14(4-2-13)24-16(5-9-23-24)18-15(7-11-26-18)19(25)22-8-6-17-21-10-12-27-17/h1-5,9-10,12,15,18H,6-8,11H2,(H,22,25)/t15-,18-/m0/s1.
What are the key properties of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.90, 6 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-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 128966170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).