(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide

C18H20N2O5 — CID 95339435

IUPAC(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@@H]1CCCO1
InChIInChI=1S/C18H20N2O5/c21-17(14-6-3-9-24-14)19-15-12-4-1-2-5-13(12)25-16(15)18(22)20-7-10-23-11-8-20/h1-2,4-5,14H,3,6-11H2,(H,19,21)/t14-/m0/s1
InChIKeyYGBPJSIIWVJVAS-AWEZNQCLSA-N
MW344.37 g/mol
LogP2.02
Rot. Bonds3

About (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide

(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide (PubChem CID 95339435) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
PubChem CID95339435
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@@H]1CCCO1
InChIInChI=1S/C18H20N2O5/c21-17(14-6-3-9-24-14)19-15-12-4-1-2-5-13(12)25-16(15)18(22)20-7-10-23-11-8-20/h1-2,4-5,14H,3,6-11H2,(H,19,21)/t14-/m0/s1
InChIKeyYGBPJSIIWVJVAS-AWEZNQCLSA-N
XLogP2.02
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide (CID 95339435) is (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide is O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide?
The InChIKey is YGBPJSIIWVJVAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-17(14-6-3-9-24-14)19-15-12-4-1-2-5-13(12)25-16(15)18(22)20-7-10-23-11-8-20/h1-2,4-5,14H,3,6-11H2,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide?
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 95339435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).