(2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide

C21H27N3O3 — CID 166324211

IUPAC(2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cn1
InChIInChI=1S/C21H27N3O3/c1-13(2)24-12-15(11-22-24)19-17(7-8-26-19)20(25)23-16-5-6-18-14(9-16)10-21(3,4)27-18/h5-6,9,11-13,17,19H,7-8,10H2,1-4H3,(H,23,25)/t17-,19+/m1/s1
InChIKeyLTXJPILIEXJLAV-MJGOQNOKSA-N
MW369.47 g/mol
LogP3.89
Rot. Bonds4

About (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide

(2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 166324211) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID166324211
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cn1
InChIInChI=1S/C21H27N3O3/c1-13(2)24-12-15(11-22-24)19-17(7-8-26-19)20(25)23-16-5-6-18-14(9-16)10-21(3,4)27-18/h5-6,9,11-13,17,19H,7-8,10H2,1-4H3,(H,23,25)/t17-,19+/m1/s1
InChIKeyLTXJPILIEXJLAV-MJGOQNOKSA-N
XLogP3.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide (CID 166324211) is (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide is CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cn1.
What is the InChIKey of (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is LTXJPILIEXJLAV-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)24-12-15(11-22-24)19-17(7-8-26-19)20(25)23-16-5-6-18-14(9-16)10-21(3,4)27-18/h5-6,9,11-13,17,19H,7-8,10H2,1-4H3,(H,23,25)/t17-,19+/m1/s1.
What are the key properties of (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide?
(2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 166324211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).