N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine

C15H20N4O2 — CID 137334377

IUPACN,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1cccc(OC2CN(c3nnc(CN(C)C)o3)C2)c1
InChIInChI=1S/C15H20N4O2/c1-11-5-4-6-12(7-11)20-13-8-19(9-13)15-17-16-14(21-15)10-18(2)3/h4-7,13H,8-10H2,1-3H3
InChIKeyFYPMAXHZUQHFSA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.71
Rot. Bonds5

About N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine

N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 137334377) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID137334377
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1cccc(OC2CN(c3nnc(CN(C)C)o3)C2)c1
InChIInChI=1S/C15H20N4O2/c1-11-5-4-6-12(7-11)20-13-8-19(9-13)15-17-16-14(21-15)10-18(2)3/h4-7,13H,8-10H2,1-3H3
InChIKeyFYPMAXHZUQHFSA-UHFFFAOYSA-N
XLogP1.71
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine (CID 137334377) is N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine is Cc1cccc(OC2CN(c3nnc(CN(C)C)o3)C2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is FYPMAXHZUQHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-5-4-6-12(7-11)20-13-8-19(9-13)15-17-16-14(21-15)10-18(2)3/h4-7,13H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 137334377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).