N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine

C19H28N4O — CID 170864938

IUPACN-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine
SMILESCC(N)Cc1ccc(-c2noc(CN(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C19H28N4O/c1-14(20)12-15-8-10-16(11-9-15)19-21-18(24-22-19)13-23(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,20H2,1-2H3
InChIKeyXGAYRLFMSSZOCH-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.39
Rot. Bonds6

About N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine

N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine (PubChem CID 170864938) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine
PubChem CID170864938
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine
SMILESCC(N)Cc1ccc(-c2noc(CN(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C19H28N4O/c1-14(20)12-15-8-10-16(11-9-15)19-21-18(24-22-19)13-23(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,20H2,1-2H3
InChIKeyXGAYRLFMSSZOCH-UHFFFAOYSA-N
XLogP3.39
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 25219232
N-methyl-N-[[3-[4-(3-morpholin-4-ylpropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine;hydrochloride
CID 170870784
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 2951433
N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine
CID 170868036
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120893378
2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771046
N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 83283215
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
2-[cyclopropyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanoic acid
CID 122100809
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine (CID 170864938) is N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine is CC(N)Cc1ccc(-c2noc(CN(C)C3CCCCC3)n2)cc1.
What is the InChIKey of N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine?
The InChIKey is XGAYRLFMSSZOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(20)12-15-8-10-16(11-9-15)19-21-18(24-22-19)13-23(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,20H2,1-2H3.
What are the key properties of N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine?
N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine has a molecular weight of 328.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 170864938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).