3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide

C19H21N3O4 — CID 97151461

IUPAC3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3noc([C@@H]4CCCO4)n3)oc2c1
InChIInChI=1S/C19H21N3O4/c1-11-5-6-13-12(2)17(25-15(13)10-11)18(23)20-8-7-16-21-19(26-22-16)14-4-3-9-24-14/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyKHPNIRCPZFATGM-AWEZNQCLSA-N
MW355.39 g/mol
LogP3.26
Rot. Bonds5

About 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide

3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 97151461) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide
PubChem CID97151461
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3noc([C@@H]4CCCO4)n3)oc2c1
InChIInChI=1S/C19H21N3O4/c1-11-5-6-13-12(2)17(25-15(13)10-11)18(23)20-8-7-16-21-19(26-22-16)14-4-3-9-24-14/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyKHPNIRCPZFATGM-AWEZNQCLSA-N
XLogP3.26
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 97121047
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936713
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936714
4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126434875
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 50954397
4-morpholin-4-yl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 124853323
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-imidazole-5-carboxamide
CID 90648078
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 99973390

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide (CID 97151461) is 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCc3noc([C@@H]4CCCO4)n3)oc2c1.
What is the InChIKey of 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is KHPNIRCPZFATGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11-5-6-13-12(2)17(25-15(13)10-11)18(23)20-8-7-16-21-19(26-22-16)14-4-3-9-24-14/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide?
3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97151461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).