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

C18H28N4O3 — CID 94819649

IUPACN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC)[C@@H](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)/t14-/m0/s1
InChIKeyOXDZNHOHSQJBMY-AWEZNQCLSA-N
MW348.45 g/mol
LogP2.92
Rot. Bonds10

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

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 94819649) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID94819649
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC)[C@@H](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)/t14-/m0/s1
InChIKeyOXDZNHOHSQJBMY-AWEZNQCLSA-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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Related Compounds

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94824014
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111450939
N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51095697
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94819543
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 78868669
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55660215
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
N-(3-hydroxy-4-methylpentyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111461301
N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119496886

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 94819649) is N-[(2S)-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-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN(CC)[C@@H](CNC(=O)CCc1nc(C(C)C)no1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OXDZNHOHSQJBMY-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(2S)-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-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 94819649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).