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

C18H26N4O2 — CID 170868036

IUPACN-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine
SMILESCN(Cc1nc(-c2ccc(CCCN)cc2)no1)C1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-22(16-8-11-23-12-9-16)13-17-20-18(21-24-17)15-6-4-14(5-7-15)3-2-10-19/h4-7,16H,2-3,8-13,19H2,1H3
InChIKeyLWAZCYBSYYKXFQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.24
Rot. Bonds7

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

N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine (PubChem CID 170868036) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine
PubChem CID170868036
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine
SMILESCN(Cc1nc(-c2ccc(CCCN)cc2)no1)C1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-22(16-8-11-23-12-9-16)13-17-20-18(21-24-17)15-6-4-14(5-7-15)3-2-10-19/h4-7,16H,2-3,8-13,19H2,1H3
InChIKeyLWAZCYBSYYKXFQ-UHFFFAOYSA-N
XLogP2.24
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[3-[4-(3-morpholin-4-ylpropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine;hydrochloride
CID 170870784
N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine
CID 170864938
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170867952
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
4-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 25219232
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116652733
[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 66989058
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
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5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine (CID 170868036) is N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine is CN(Cc1nc(-c2ccc(CCCN)cc2)no1)C1CCOCC1.
What is the InChIKey of N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine?
The InChIKey is LWAZCYBSYYKXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-22(16-8-11-23-12-9-16)13-17-20-18(21-24-17)15-6-4-14(5-7-15)3-2-10-19/h4-7,16H,2-3,8-13,19H2,1H3.
What are the key properties of N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine?
N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine has a molecular weight of 330.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(3-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 170868036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).