N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine

C24H30N4O2 — CID 56542746

IUPACN-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCc1ccc(-c2nnc(CN(Cc3ccccc3)C(C)CN3CCOCC3)o2)cc1
InChIInChI=1S/C24H30N4O2/c1-19-8-10-22(11-9-19)24-26-25-23(30-24)18-28(17-21-6-4-3-5-7-21)20(2)16-27-12-14-29-15-13-27/h3-11,20H,12-18H2,1-2H3
InChIKeyQLJGMHBUZZUECA-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.77
Rot. Bonds8

About N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine

N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 56542746) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID56542746
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCc1ccc(-c2nnc(CN(Cc3ccccc3)C(C)CN3CCOCC3)o2)cc1
InChIInChI=1S/C24H30N4O2/c1-19-8-10-22(11-9-19)24-26-25-23(30-24)18-28(17-21-6-4-3-5-7-21)20(2)16-27-12-14-29-15-13-27/h3-11,20H,12-18H2,1-2H3
InChIKeyQLJGMHBUZZUECA-UHFFFAOYSA-N
XLogP3.77
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 78822942
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150677
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150689
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]propanamide
CID 51947919
4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile
CID 56542590
4-ethylmorpholine;1-methyl-4-phenylbenzene
CID 144997146
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(1-phenylethyl)acetamide
CID 56542719
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-methyl-N-(1-phenylethyl)acetamide
CID 56542974
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 56570018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine (CID 56542746) is N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine is Cc1ccc(-c2nnc(CN(Cc3ccccc3)C(C)CN3CCOCC3)o2)cc1.
What is the InChIKey of N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is QLJGMHBUZZUECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19-8-10-22(11-9-19)24-26-25-23(30-24)18-28(17-21-6-4-3-5-7-21)20(2)16-27-12-14-29-15-13-27/h3-11,20H,12-18H2,1-2H3.
What are the key properties of N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine?
N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 406.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 56542746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).