N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine

C22H27N3O2 — CID 23723585

IUPACN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C(C)C
InChIInChI=1S/C22H27N3O2/c1-17(2)25(14-15-26-3)16-20-23-22(24-27-20)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,21H,14-16H2,1-3H3
InChIKeyYLMVNKWSQWIGHN-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.11
Rot. Bonds9

About N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine

N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine (PubChem CID 23723585) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
PubChem CID23723585
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C(C)C
InChIInChI=1S/C22H27N3O2/c1-17(2)25(14-15-26-3)16-20-23-22(24-27-20)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,21H,14-16H2,1-3H3
InChIKeyYLMVNKWSQWIGHN-UHFFFAOYSA-N
XLogP4.11
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine (CID 23723585) is N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine is COCCN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C(C)C.
What is the InChIKey of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is YLMVNKWSQWIGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(2)25(14-15-26-3)16-20-23-22(24-27-20)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,21H,14-16H2,1-3H3.
What are the key properties of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 365.48 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 23723585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).