(2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide

C18H21N3O3 — CID 129342115

IUPAC(2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1COc2ccccc21
InChIInChI=1S/C18H21N3O3/c1-2-21-15(7-9-19-21)17-13(8-10-23-17)18(22)20-14-11-24-16-6-4-3-5-12(14)16/h3-7,9,13-14,17H,2,8,10-11H2,1H3,(H,20,22)/t13-,14+,17-/m1/s1
InChIKeyZWNUYZQDWHSMOG-JKIFEVAISA-N
MW327.38 g/mol
LogP2.23
Rot. Bonds4

About (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide

(2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 129342115) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID129342115
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1COc2ccccc21
InChIInChI=1S/C18H21N3O3/c1-2-21-15(7-9-19-21)17-13(8-10-23-17)18(22)20-14-11-24-16-6-4-3-5-12(14)16/h3-7,9,13-14,17H,2,8,10-11H2,1H3,(H,20,22)/t13-,14+,17-/m1/s1
InChIKeyZWNUYZQDWHSMOG-JKIFEVAISA-N
XLogP2.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide (CID 129342115) is (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide is CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1COc2ccccc21.
What is the InChIKey of (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is ZWNUYZQDWHSMOG-JKIFEVAISA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-21-15(7-9-19-21)17-13(8-10-23-17)18(22)20-14-11-24-16-6-4-3-5-12(14)16/h3-7,9,13-14,17H,2,8,10-11H2,1H3,(H,20,22)/t13-,14+,17-/m1/s1.
What are the key properties of (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
(2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129342115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).