N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H28N4O3 — CID 51095682

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC)C(CNC(=O)CCc1nc(C(C)C)no1)c1ccco1
InChIInChI=1S/C18H28N4O3/c1-5-22(6-2)14(15-8-7-11-24-15)12-19-16(23)9-10-17-20-18(13(3)4)21-25-17/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,19,23)
InChIKeyOXDZNHOHSQJBMY-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.92
Rot. Bonds10

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 51095682) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID51095682
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC)C(CNC(=O)CCc1nc(C(C)C)no1)c1ccco1
InChIInChI=1S/C18H28N4O3/c1-5-22(6-2)14(15-8-7-11-24-15)12-19-16(23)9-10-17-20-18(13(3)4)21-25-17/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,19,23)
InChIKeyOXDZNHOHSQJBMY-UHFFFAOYSA-N
XLogP2.92
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 51095682) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN(CC)C(CNC(=O)CCc1nc(C(C)C)no1)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OXDZNHOHSQJBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-5-22(6-2)14(15-8-7-11-24-15)12-19-16(23)9-10-17-20-18(13(3)4)21-25-17/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,19,23).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 51095682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).