N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide

C19H17N3O4 — CID 162661369

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccco2)no1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H17N3O4/c1-12(2)22(11-17-20-18(21-26-17)15-8-5-9-24-15)19(23)16-10-13-6-3-4-7-14(13)25-16/h3-10,12H,11H2,1-2H3
InChIKeyLTARIMCWTVQGRU-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.13
Rot. Bonds5

About N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 162661369) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID162661369
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccco2)no1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H17N3O4/c1-12(2)22(11-17-20-18(21-26-17)15-8-5-9-24-15)19(23)16-10-13-6-3-4-7-14(13)25-16/h3-10,12H,11H2,1-2H3
InChIKeyLTARIMCWTVQGRU-UHFFFAOYSA-N
XLogP4.13
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide (CID 162661369) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)N(Cc1nc(-c2ccco2)no1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is LTARIMCWTVQGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(2)22(11-17-20-18(21-26-17)15-8-5-9-24-15)19(23)16-10-13-6-3-4-7-14(13)25-16/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162661369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).