1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine

C22H27N3O — CID 33182726

IUPAC1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2nnc(CN(C)Cc3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C22H27N3O/c1-16-6-10-18(11-7-16)21-24-23-20(26-21)15-25(5)14-17-8-12-19(13-9-17)22(2,3)4/h6-13H,14-15H2,1-5H3
InChIKeyNIXZIJOWLFOTBV-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.97
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine

1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine (PubChem CID 33182726) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
PubChem CID33182726
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2nnc(CN(C)Cc3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C22H27N3O/c1-16-6-10-18(11-7-16)21-24-23-20(26-21)15-25(5)14-17-8-12-19(13-9-17)22(2,3)4/h6-13H,14-15H2,1-5H3
InChIKeyNIXZIJOWLFOTBV-UHFFFAOYSA-N
XLogP4.97
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol
CID 115637974
1-(4-ethoxyphenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 34689783
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 31374350
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol
CID 78962061
1-cyclopropyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 111858859
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methylphenoxy)ethanamine
CID 34722034
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(6-methoxynaphthalen-2-yl)-N-methylmethanamine
CID 46615095
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine (CID 33182726) is 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine is Cc1ccc(-c2nnc(CN(C)Cc3ccc(C(C)(C)C)cc3)o2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The InChIKey is NIXZIJOWLFOTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-6-10-18(11-7-16)21-24-23-20(26-21)15-25(5)14-17-8-12-19(13-9-17)22(2,3)4/h6-13H,14-15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine has a molecular weight of 349.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 33182726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).