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

C20H21FN4O2S — CID 129324543

IUPAC(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCc1csc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN4O2S/c1-12-11-28-20(23-12)13(2)24-19(26)16-8-10-27-18(16)17-7-9-22-25(17)15-5-3-14(21)4-6-15/h3-7,9,11,13,16,18H,8,10H2,1-2H3,(H,24,26)/t13-,16+,18+/m1/s1
InChIKeyOFTCUBKOWBWQEE-SKDZVZGDSA-N
MW400.48 g/mol
LogP3.73
Rot. Bonds5

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

(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 129324543) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID129324543
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCc1csc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN4O2S/c1-12-11-28-20(23-12)13(2)24-19(26)16-8-10-27-18(16)17-7-9-22-25(17)15-5-3-14(21)4-6-15/h3-7,9,11,13,16,18H,8,10H2,1-2H3,(H,24,26)/t13-,16+,18+/m1/s1
InChIKeyOFTCUBKOWBWQEE-SKDZVZGDSA-N
XLogP3.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.73
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-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (CID 129324543) is (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-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-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is Cc1csc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)n1.
What is the InChIKey of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is OFTCUBKOWBWQEE-SKDZVZGDSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-12-11-28-20(23-12)13(2)24-19(26)16-8-10-27-18(16)17-7-9-22-25(17)15-5-3-14(21)4-6-15/h3-7,9,11,13,16,18H,8,10H2,1-2H3,(H,24,26)/t13-,16+,18+/m1/s1.
What are the key properties of (2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.73, 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-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 129324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).