(2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide

C15H16N2O3S — CID 138051841

IUPAC(2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide
SMILESC=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2cccs2)on1
InChIInChI=1S/C15H16N2O3S/c1-9(2)14-10(5-6-19-14)15(18)16-13-8-11(20-17-13)12-4-3-7-21-12/h3-4,7-8,10,14H,1,5-6H2,2H3,(H,16,17,18)/t10-,14-/m0/s1
InChIKeyKHJSYJSBWQTCFM-HZMBPMFUSA-N
MW304.37 g/mol
LogP3.32
Rot. Bonds4

About (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide

(2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide (PubChem CID 138051841) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide
PubChem CID138051841
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide
SMILESC=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2cccs2)on1
InChIInChI=1S/C15H16N2O3S/c1-9(2)14-10(5-6-19-14)15(18)16-13-8-11(20-17-13)12-4-3-7-21-12/h3-4,7-8,10,14H,1,5-6H2,2H3,(H,16,17,18)/t10-,14-/m0/s1
InChIKeyKHJSYJSBWQTCFM-HZMBPMFUSA-N
XLogP3.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide (CID 138051841) is (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide is C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2cccs2)on1.
What is the InChIKey of (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide?
The InChIKey is KHJSYJSBWQTCFM-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(2)14-10(5-6-19-14)15(18)16-13-8-11(20-17-13)12-4-3-7-21-12/h3-4,7-8,10,14H,1,5-6H2,2H3,(H,16,17,18)/t10-,14-/m0/s1.
What are the key properties of (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide?
(2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 138051841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).