N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine

C15H19N3O2 — CID 97444607

IUPACN,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESCN(C)Cc1cccc(-c2nc([C@@H]3CCOC3)no2)c1
InChIInChI=1S/C15H19N3O2/c1-18(2)9-11-4-3-5-12(8-11)15-16-14(17-20-15)13-6-7-19-10-13/h3-5,8,13H,6-7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyACKATWWDCSDQMY-CYBMUJFWSA-N
MW273.34 g/mol
LogP2.30
Rot. Bonds4

About N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine

N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine (PubChem CID 97444607) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
PubChem CID97444607
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESCN(C)Cc1cccc(-c2nc([C@@H]3CCOC3)no2)c1
InChIInChI=1S/C15H19N3O2/c1-18(2)9-11-4-3-5-12(8-11)15-16-14(17-20-15)13-6-7-19-10-13/h3-5,8,13H,6-7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyACKATWWDCSDQMY-CYBMUJFWSA-N
XLogP2.30
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine (CID 97444607) is N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine is CN(C)Cc1cccc(-c2nc([C@@H]3CCOC3)no2)c1.
What is the InChIKey of N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The InChIKey is ACKATWWDCSDQMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)9-11-4-3-5-12(8-11)15-16-14(17-20-15)13-6-7-19-10-13/h3-5,8,13H,6-7,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 97444607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).