2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride

C18H27ClN4O2 — CID 119773273

IUPAC2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride
SMILESCCc1noc(-c2ccc(CCNC(=O)C(N)C(C)CC)cc2)n1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-4-12(3)16(19)17(23)20-11-10-13-6-8-14(9-7-13)18-21-15(5-2)22-24-18;/h6-9,12,16H,4-5,10-11,19H2,1-3H3,(H,20,23);1H
InChIKeyXXMZMBVYJMDKJG-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.75
Rot. Bonds8

About 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride

2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride (PubChem CID 119773273) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride
PubChem CID119773273
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride
SMILESCCc1noc(-c2ccc(CCNC(=O)C(N)C(C)CC)cc2)n1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-4-12(3)16(19)17(23)20-11-10-13-6-8-14(9-7-13)18-21-15(5-2)22-24-18;/h6-9,12,16H,4-5,10-11,19H2,1-3H3,(H,20,23);1H
InChIKeyXXMZMBVYJMDKJG-UHFFFAOYSA-N
XLogP2.75
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317564
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 119317584
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119317575
3-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317568
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide
CID 120792048
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylpentanamide
CID 119773286
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120630795
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227458
9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988914
1-butyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111150132

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride (CID 119773273) is 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride is CCc1noc(-c2ccc(CCNC(=O)C(N)C(C)CC)cc2)n1.Cl.
What is the InChIKey of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride?
The InChIKey is XXMZMBVYJMDKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-4-12(3)16(19)17(23)20-11-10-13-6-8-14(9-7-13)18-21-15(5-2)22-24-18;/h6-9,12,16H,4-5,10-11,19H2,1-3H3,(H,20,23);1H.
What are the key properties of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119773273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).