N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

C21H23N3O2 — CID 71861088

IUPACN-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCN(CC1CCOC1)C(c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H23N3O2/c1-24(14-16-12-13-25-15-16)19(17-8-4-2-5-9-17)21-22-20(23-26-21)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyFFLSMQLXXIGNDX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.79
Rot. Bonds6

About N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 71861088) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID71861088
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCN(CC1CCOC1)C(c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H23N3O2/c1-24(14-16-12-13-25-15-16)19(17-8-4-2-5-9-17)21-22-20(23-26-21)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyFFLSMQLXXIGNDX-UHFFFAOYSA-N
XLogP3.79
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine (CID 71861088) is N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine is CN(CC1CCOC1)C(c1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is FFLSMQLXXIGNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24(14-16-12-13-25-15-16)19(17-8-4-2-5-9-17)21-22-20(23-26-21)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine?
N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 349.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 71861088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).