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

C19H23N3O3 — CID 136581065

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C19H23N3O3/c1-2-22-10-9-20-18(22)17-14(7-5-11-24-17)21-19(23)16-12-13-6-3-4-8-15(13)25-16/h3-4,6,8-10,14,16-17H,2,5,7,11-12H2,1H3,(H,21,23)/t14-,16?,17-/m0/s1
InChIKeyGQKKQOCNKHAVKL-NZEUDUFCSA-N
MW341.41 g/mol
LogP2.24
Rot. Bonds4

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

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 136581065) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID136581065
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C19H23N3O3/c1-2-22-10-9-20-18(22)17-14(7-5-11-24-17)21-19(23)16-12-13-6-3-4-8-15(13)25-16/h3-4,6,8-10,14,16-17H,2,5,7,11-12H2,1H3,(H,21,23)/t14-,16?,17-/m0/s1
InChIKeyGQKKQOCNKHAVKL-NZEUDUFCSA-N
XLogP2.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066905
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
CID 136588223
5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 127967879
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]oxan-3-amine
CID 129400645
(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide
CID 128986828
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine
CID 124620783
trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 138017013
N-cyclopentyl-6-[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]amino]pyridazine-3-carboxamide
CID 154736600
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]oxan-3-amine
CID 129400637
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
CID 126794220
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106365967

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 136581065) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GQKKQOCNKHAVKL-NZEUDUFCSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-22-10-9-20-18(22)17-14(7-5-11-24-17)21-19(23)16-12-13-6-3-4-8-15(13)25-16/h3-4,6,8-10,14,16-17H,2,5,7,11-12H2,1H3,(H,21,23)/t14-,16?,17-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.24, 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)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 136581065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).