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

C21H24N4O2 — CID 120840640

IUPAC(4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1ccc(C(N)c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1
InChIInChI=1S/C21H24N4O2/c1-15-2-6-17(7-3-15)19(22)21-23-20(24-27-21)18-8-4-16(5-9-18)14-25-10-12-26-13-11-25/h2-9,19H,10-14,22H2,1H3
InChIKeyWKPGDDSERGHDIA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.93
Rot. Bonds5

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

(4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120840640) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120840640
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1ccc(C(N)c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1
InChIInChI=1S/C21H24N4O2/c1-15-2-6-17(7-3-15)19(22)21-23-20(24-27-21)18-8-4-16(5-9-18)14-25-10-12-26-13-11-25/h2-9,19H,10-14,22H2,1H3
InChIKeyWKPGDDSERGHDIA-UHFFFAOYSA-N
XLogP2.93
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120841626
4-[[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 59504760
4-methyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]aniline;hydrochloride
CID 120840629
[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 120840636
5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282
2-[2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline;hydrochloride
CID 120840655
4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide
CID 146130567
4-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]morpholine
CID 123803734
[1-[[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120840626
3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 119027809
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120833726

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120840640) is (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is Cc1ccc(C(N)c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1.
What is the InChIKey of (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is WKPGDDSERGHDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-2-6-17(7-3-15)19(22)21-23-20(24-27-21)18-8-4-16(5-9-18)14-25-10-12-26-13-11-25/h2-9,19H,10-14,22H2,1H3.
What are the key properties of (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
(4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 364.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120840640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).