(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide

C16H21N3O2S — CID 129473071

IUPAC(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2cccs2)cnn1C
InChIInChI=1S/C16H21N3O2S/c1-10(14-5-4-8-22-14)18-16(20)12-6-7-21-15(12)13-9-17-19(3)11(13)2/h4-5,8-10,12,15H,6-7H2,1-3H3,(H,18,20)/t10-,12+,15+/m1/s1
InChIKeyROBUEUUZNSNUFM-GMXABZIVSA-N
MW319.43 g/mol
LogP2.75
Rot. Bonds4

About (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide

(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide (PubChem CID 129473071) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide
PubChem CID129473071
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2cccs2)cnn1C
InChIInChI=1S/C16H21N3O2S/c1-10(14-5-4-8-22-14)18-16(20)12-6-7-21-15(12)13-9-17-19(3)11(13)2/h4-5,8-10,12,15H,6-7H2,1-3H3,(H,18,20)/t10-,12+,15+/m1/s1
InChIKeyROBUEUUZNSNUFM-GMXABZIVSA-N
XLogP2.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide (CID 129473071) is (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide is Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2cccs2)cnn1C.
What is the InChIKey of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide?
The InChIKey is ROBUEUUZNSNUFM-GMXABZIVSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(14-5-4-8-22-14)18-16(20)12-6-7-21-15(12)13-9-17-19(3)11(13)2/h4-5,8-10,12,15H,6-7H2,1-3H3,(H,18,20)/t10-,12+,15+/m1/s1.
What are the key properties of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide?
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-3-carboxamide is sourced from PubChem (CID 129473071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).