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

C19H21N3O — CID 20679145

IUPAC1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCc1ccc(-c2nnc(-c3ccc(CN(C)C)cc3)o2)cc1C
InChIInChI=1S/C19H21N3O/c1-13-5-8-17(11-14(13)2)19-21-20-18(23-19)16-9-6-15(7-10-16)12-22(3)4/h5-11H,12H2,1-4H3
InChIKeyHDUJMZCTBVPENJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.08
Rot. Bonds4

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

1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 20679145) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID20679145
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCc1ccc(-c2nnc(-c3ccc(CN(C)C)cc3)o2)cc1C
InChIInChI=1S/C19H21N3O/c1-13-5-8-17(11-14(13)2)19-21-20-18(23-19)16-9-6-15(7-10-16)12-22(3)4/h5-11H,12H2,1-4H3
InChIKeyHDUJMZCTBVPENJ-UHFFFAOYSA-N
XLogP4.08
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine (CID 20679145) is 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine is Cc1ccc(-c2nnc(-c3ccc(CN(C)C)cc3)o2)cc1C.
What is the InChIKey of 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is HDUJMZCTBVPENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-5-8-17(11-14(13)2)19-21-20-18(23-19)16-9-6-15(7-10-16)12-22(3)4/h5-11H,12H2,1-4H3.
What are the key properties of 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine?
1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 307.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 20679145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).