(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide

C20H22N2O3 — CID 26353536

IUPAC(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
SMILESCc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)[C@H]1CCOC1)C2
InChIInChI=1S/C20H22N2O3/c1-13-8-15-10-16(11-22-20(23)14-5-7-24-12-14)25-19(15)17(9-13)18-4-2-3-6-21-18/h2-4,6,8-9,14,16H,5,7,10-12H2,1H3,(H,22,23)/t14-,16+/m0/s1
InChIKeyNPHLGXSFKQOXGD-GOEBONIOSA-N
MW338.41 g/mol
LogP2.51
Rot. Bonds4

About (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide

(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide (PubChem CID 26353536) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
PubChem CID26353536
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
SMILESCc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)[C@H]1CCOC1)C2
InChIInChI=1S/C20H22N2O3/c1-13-8-15-10-16(11-22-20(23)14-5-7-24-12-14)25-19(15)17(9-13)18-4-2-3-6-21-18/h2-4,6,8-9,14,16H,5,7,10-12H2,1H3,(H,22,23)/t14-,16+/m0/s1
InChIKeyNPHLGXSFKQOXGD-GOEBONIOSA-N
XLogP2.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42319769
2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26351632
N-[[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 42484035
4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide
CID 45230098
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42360420
[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45168534
(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26332714
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 45183138
(4S)-N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,2-dimethyloxane-4-carboxamide
CID 26348440
2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26276594
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
CID 45207708

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide (CID 26353536) is (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide is Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)[C@H]1CCOC1)C2.
What is the InChIKey of (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The InChIKey is NPHLGXSFKQOXGD-GOEBONIOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-8-15-10-16(11-22-20(23)14-5-7-24-12-14)25-19(15)17(9-13)18-4-2-3-6-21-18/h2-4,6,8-9,14,16H,5,7,10-12H2,1H3,(H,22,23)/t14-,16+/m0/s1.
What are the key properties of (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 26353536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).