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

C17H19N3O3 — CID 24819465

IUPAC3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NCc3nnc(C)o3)c(C)c2c1
InChIInChI=1S/C17H19N3O3/c1-4-5-12-6-7-14-13(8-12)10(2)16(23-14)17(21)18-9-15-20-19-11(3)22-15/h6-8H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyBJWKMBVIKKLGTR-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.32
Rot. Bonds5

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

3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide (PubChem CID 24819465) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide
PubChem CID24819465
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NCc3nnc(C)o3)c(C)c2c1
InChIInChI=1S/C17H19N3O3/c1-4-5-12-6-7-14-13(8-12)10(2)16(23-14)17(21)18-9-15-20-19-11(3)22-15/h6-8H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyBJWKMBVIKKLGTR-UHFFFAOYSA-N
XLogP3.32
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16437667
3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24793805
3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 24817645
((S)-2-(Diethylaminomethyl)pyrrolidin-1-yl)-(5-(trifluoromethyl)benzofuran-2-yl)methanone
CID 44411604
3-(2-(Furan-2-carboxamido)ethyl)benzofuran-5-carboxamide
CID 44593609
N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 727308
3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 886450
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2569117
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide
CID 3241239
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 4878106
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide
CID 8895031
5-fluoro-3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 9143222

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide (CID 24819465) is 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)NCc3nnc(C)o3)c(C)c2c1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide?
The InChIKey is BJWKMBVIKKLGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-5-12-6-7-14-13(8-12)10(2)16(23-14)17(21)18-9-15-20-19-11(3)22-15/h6-8H,4-5,9H2,1-3H3,(H,18,21).
What are the key properties of 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide?
3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24819465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).