N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide

C18H19N3O3 — CID 128986111

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H19N3O3/c1-2-21-9-8-19-17(21)16-13(7-10-23-16)20-18(22)15-11-12-5-3-4-6-14(12)24-15/h3-6,8-9,11,13,16H,2,7,10H2,1H3,(H,20,22)/t13-,16-/m0/s1
InChIKeyRVTXMXAGLNKZDK-BBRMVZONSA-N
MW325.37 g/mol
LogP2.91
Rot. Bonds4

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 128986111) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
PubChem CID128986111
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H19N3O3/c1-2-21-9-8-19-17(21)16-13(7-10-23-16)20-18(22)15-11-12-5-3-4-6-14(12)24-15/h3-6,8-9,11,13,16H,2,7,10H2,1H3,(H,20,22)/t13-,16-/m0/s1
InChIKeyRVTXMXAGLNKZDK-BBRMVZONSA-N
XLogP2.91
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide (CID 128986111) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is RVTXMXAGLNKZDK-BBRMVZONSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-21-9-8-19-17(21)16-13(7-10-23-16)20-18(22)15-11-12-5-3-4-6-14(12)24-15/h3-6,8-9,11,13,16H,2,7,10H2,1H3,(H,20,22)/t13-,16-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 128986111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).