[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

C18H20N4O3 — CID 120840636

IUPAC[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
SMILESNCc1cc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)co1
InChIInChI=1S/C18H20N4O3/c19-10-16-9-15(12-24-16)18-20-17(21-25-18)14-3-1-13(2-4-14)11-22-5-7-23-8-6-22/h1-4,9,12H,5-8,10-11,19H2
InChIKeyRFXMOPSDMJIKDY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.29
Rot. Bonds5

About [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine (PubChem CID 120840636) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
PubChem CID120840636
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
SMILESNCc1cc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)co1
InChIInChI=1S/C18H20N4O3/c19-10-16-9-15(12-24-16)18-20-17(21-25-18)14-3-1-13(2-4-14)11-22-5-7-23-8-6-22/h1-4,9,12H,5-8,10-11,19H2
InChIKeyRFXMOPSDMJIKDY-UHFFFAOYSA-N
XLogP2.29
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine with MolForge

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Related Compounds

4-methyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]aniline;hydrochloride
CID 120840629
4-[[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 59504760
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
2-[2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline;hydrochloride
CID 120840655
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide
CID 146130567
[1-[[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120840626
(4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120840640
(2R)-2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840650
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The IUPAC name of [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine (CID 120840636) is [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine.
What is the SMILES notation for [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The canonical SMILES for [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine is NCc1cc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)co1.
What is the InChIKey of [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The InChIKey is RFXMOPSDMJIKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-10-16-9-15(12-24-16)18-20-17(21-25-18)14-3-1-13(2-4-14)11-22-5-7-23-8-6-22/h1-4,9,12H,5-8,10-11,19H2.
What are the key properties of [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine has a molecular weight of 340.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine is sourced from PubChem (CID 120840636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).