N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

C19H28N4O — CID 120872650

IUPACN'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1noc(C2CCCCC2)n1
InChIInChI=1S/C19H28N4O/c20-12-14-23(13-11-16-7-3-1-4-8-16)15-18-21-19(24-22-18)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15,20H2
InChIKeyAXVVRNNYRGIWMT-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.12
Rot. Bonds8

About N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120872650) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120872650
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1noc(C2CCCCC2)n1
InChIInChI=1S/C19H28N4O/c20-12-14-23(13-11-16-7-3-1-4-8-16)15-18-21-19(24-22-18)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15,20H2
InChIKeyAXVVRNNYRGIWMT-UHFFFAOYSA-N
XLogP3.12
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine
CID 120750424
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine
CID 120751247
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine
CID 91836107
N'-(cyclobutylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872591
N'-(2-phenylethyl)-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 120871706
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine
CID 120751143
N'-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912672

Frequently Asked Questions

What is the IUPAC name of N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120872650) is N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is NCCN(CCc1ccccc1)Cc1noc(C2CCCCC2)n1.
What is the InChIKey of N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is AXVVRNNYRGIWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c20-12-14-23(13-11-16-7-3-1-4-8-16)15-18-21-19(24-22-18)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15,20H2.
What are the key properties of N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 328.46 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120872650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).