(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide

C15H20N4O2S — CID 128999441

IUPAC(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1nccs1
InChIInChI=1S/C15H20N4O2S/c1-3-19-12(4-6-17-19)14-11(5-8-21-14)15(20)18(2)10-13-16-7-9-22-13/h4,6-7,9,11,14H,3,5,8,10H2,1-2H3/t11-,14-/m1/s1
InChIKeyVOZNNONLENPWAJ-BXUZGUMPSA-N
MW320.42 g/mol
LogP2.10
Rot. Bonds5

About (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide

(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 128999441) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
PubChem CID128999441
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1nccs1
InChIInChI=1S/C15H20N4O2S/c1-3-19-12(4-6-17-19)14-11(5-8-21-14)15(20)18(2)10-13-16-7-9-22-13/h4,6-7,9,11,14H,3,5,8,10H2,1-2H3/t11-,14-/m1/s1
InChIKeyVOZNNONLENPWAJ-BXUZGUMPSA-N
XLogP2.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide (CID 128999441) is (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide is CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1nccs1.
What is the InChIKey of (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is VOZNNONLENPWAJ-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-19-12(4-6-17-19)14-11(5-8-21-14)15(20)18(2)10-13-16-7-9-22-13/h4,6-7,9,11,14H,3,5,8,10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide?
(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-ethylpyrazol-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 128999441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).