(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide

C22H25N3O4 — CID 129324027

IUPAC(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide
SMILESCOc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)o1
InChIInChI=1S/C22H25N3O4/c1-14-8-9-19(29-14)15(2)24-22(26)16-11-13-28-21(16)18-10-12-23-25(18)17-6-4-5-7-20(17)27-3/h4-10,12,15-16,21H,11,13H2,1-3H3,(H,24,26)/t15-,16-,21-/m0/s1
InChIKeyHUQXBOOEQJKJJH-QYWGDWMGSA-N
MW395.46 g/mol
LogP3.74
Rot. Bonds6

About (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide

(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 129324027) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID129324027
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide
SMILESCOc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)o1
InChIInChI=1S/C22H25N3O4/c1-14-8-9-19(29-14)15(2)24-22(26)16-11-13-28-21(16)18-10-12-23-25(18)17-6-4-5-7-20(17)27-3/h4-10,12,15-16,21H,11,13H2,1-3H3,(H,24,26)/t15-,16-,21-/m0/s1
InChIKeyHUQXBOOEQJKJJH-QYWGDWMGSA-N
XLogP3.74
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.74
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-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide (CID 129324027) is (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide is COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)o1.
What is the InChIKey of (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is HUQXBOOEQJKJJH-QYWGDWMGSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-8-9-19(29-14)15(2)24-22(26)16-11-13-28-21(16)18-10-12-23-25(18)17-6-4-5-7-20(17)27-3/h4-10,12,15-16,21H,11,13H2,1-3H3,(H,24,26)/t15-,16-,21-/m0/s1.
What are the key properties of (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide?
(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.74, 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-(2-methoxyphenyl)pyrazol-3-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 129324027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).