1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

C17H24N4O — CID 154766161

IUPAC1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2noc(CN3CC(C)(C)C3)n2)cc1
InChIInChI=1S/C17H24N4O/c1-17(2)11-21(12-17)10-15-18-16(19-22-15)14-7-5-13(6-8-14)9-20(3)4/h5-8H,9-12H2,1-4H3
InChIKeyCCANWMQGLRYMCO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.64
Rot. Bonds5

About 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 154766161) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID154766161
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2noc(CN3CC(C)(C)C3)n2)cc1
InChIInChI=1S/C17H24N4O/c1-17(2)11-21(12-17)10-15-18-16(19-22-15)14-7-5-13(6-8-14)9-20(3)4/h5-8H,9-12H2,1-4H3
InChIKeyCCANWMQGLRYMCO-UHFFFAOYSA-N
XLogP2.64
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[4-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120842104
N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120842058
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774978
3-(4-ethylphenyl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47039399
N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 53162776
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142390
1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-3-amine
CID 119918150
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 51223980
N-[(4-methoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43930943
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31544496
5-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 86868254

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (CID 154766161) is 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2noc(CN3CC(C)(C)C3)n2)cc1.
What is the InChIKey of 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is CCANWMQGLRYMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-17(2)11-21(12-17)10-15-18-16(19-22-15)14-7-5-13(6-8-14)9-20(3)4/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 300.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 154766161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).