N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C19H28N4O2 — CID 52667872

IUPACN-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2ccc(N(CC)CC)cc2)n1
InChIInChI=1S/C19H28N4O2/c1-4-8-17-21-19(25-22-17)10-7-9-18(24)20-15-11-13-16(14-12-15)23(5-2)6-3/h11-14H,4-10H2,1-3H3,(H,20,24)
InChIKeyLBECAAHOYVXYLX-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.83
Rot. Bonds10

About N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 52667872) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID52667872
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2ccc(N(CC)CC)cc2)n1
InChIInChI=1S/C19H28N4O2/c1-4-8-17-21-19(25-22-17)10-7-9-18(24)20-15-11-13-16(14-12-15)23(5-2)6-3/h11-14H,4-10H2,1-3H3,(H,20,24)
InChIKeyLBECAAHOYVXYLX-UHFFFAOYSA-N
XLogP3.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64795052
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330758
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
5-bromo-N-[4-(diethylamino)phenyl]pentanamide
CID 107907428
N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853359
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330937
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55821878

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 52667872) is N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)Nc2ccc(N(CC)CC)cc2)n1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is LBECAAHOYVXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-8-17-21-19(25-22-17)10-7-9-18(24)20-15-11-13-16(14-12-15)23(5-2)6-3/h11-14H,4-10H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 344.46 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 52667872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).