N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C15H21ClN4O2 — CID 119549376

IUPACN-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCc1noc(CCCC(=O)NCCc2ccc(N)cc2)n1.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-11-18-15(21-19-11)4-2-3-14(20)17-10-9-12-5-7-13(16)8-6-12;/h5-8H,2-4,9-10,16H2,1H3,(H,17,20);1H
InChIKeySZMHMGMKSWFIML-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.06
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119549376) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119549376
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCc1noc(CCCC(=O)NCCc2ccc(N)cc2)n1.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-11-18-15(21-19-11)4-2-3-14(20)17-10-9-12-5-7-13(16)8-6-12;/h5-8H,2-4,9-10,16H2,1H3,(H,17,20);1H
InChIKeySZMHMGMKSWFIML-UHFFFAOYSA-N
XLogP2.06
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]benzoic acid
CID 119168608
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
2-(4-aminophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413302
3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 107329579
2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413391
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119547677
N-(3-hydroxy-3-phenylpropyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 111471932
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526971
N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119643263
N-[3-(N-methylanilino)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86990282
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119549376) is N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is Cc1noc(CCCC(=O)NCCc2ccc(N)cc2)n1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is SZMHMGMKSWFIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-11-18-15(21-19-11)4-2-3-14(20)17-10-9-12-5-7-13(16)8-6-12;/h5-8H,2-4,9-10,16H2,1H3,(H,17,20);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119549376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).