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

C22H22N4O3 — CID 45242404

IUPAC3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NC(C)c3nc(-c4cccnc4)no3)c(C)c2c1
InChIInChI=1S/C22H22N4O3/c1-4-6-15-8-9-18-17(11-15)13(2)19(28-18)21(27)24-14(3)22-25-20(26-29-22)16-7-5-10-23-12-16/h5,7-12,14H,4,6H2,1-3H3,(H,24,27)
InChIKeyLHAWFUNOQDXWDZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.63
Rot. Bonds6

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

3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 45242404) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID45242404
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NC(C)c3nc(-c4cccnc4)no3)c(C)c2c1
InChIInChI=1S/C22H22N4O3/c1-4-6-15-8-9-18-17(11-15)13(2)19(28-18)21(27)24-14(3)22-25-20(26-29-22)16-7-5-10-23-12-16/h5,7-12,14H,4,6H2,1-3H3,(H,24,27)
InChIKeyLHAWFUNOQDXWDZ-UHFFFAOYSA-N
XLogP4.63
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide (CID 45242404) is 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)NC(C)c3nc(-c4cccnc4)no3)c(C)c2c1.
What is the InChIKey of 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is LHAWFUNOQDXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-4-6-15-8-9-18-17(11-15)13(2)19(28-18)21(27)24-14(3)22-25-20(26-29-22)16-7-5-10-23-12-16/h5,7-12,14H,4,6H2,1-3H3,(H,24,27).
What are the key properties of 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 45242404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).