N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide

C19H21N3O3 — CID 50954397

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)CCc3noc(C4CC4)n3)oc2c1
InChIInChI=1S/C19H21N3O3/c1-11-4-7-14-12(2)17(24-15(14)10-11)19(23)22(3)9-8-16-20-18(25-21-16)13-5-6-13/h4,7,10,13H,5-6,8-9H2,1-3H3
InChIKeySSDIGVVEHCFAER-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 50954397) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID50954397
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)CCc3noc(C4CC4)n3)oc2c1
InChIInChI=1S/C19H21N3O3/c1-11-4-7-14-12(2)17(24-15(14)10-11)19(23)22(3)9-8-16-20-18(25-21-16)13-5-6-13/h4,7,10,13H,5-6,8-9H2,1-3H3
InChIKeySSDIGVVEHCFAER-UHFFFAOYSA-N
XLogP3.62
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide (CID 50954397) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(C)CCc3noc(C4CC4)n3)oc2c1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is SSDIGVVEHCFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-4-7-14-12(2)17(24-15(14)10-11)19(23)22(3)9-8-16-20-18(25-21-16)13-5-6-13/h4,7,10,13H,5-6,8-9H2,1-3H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50954397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).