N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine

C23H24N2O3 — CID 30588730

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine
SMILESc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)on2)cc1
InChIInChI=1S/C23H24N2O3/c1-2-6-18(7-3-1)21-13-20(28-24-21)15-25(19-8-4-5-9-19)14-17-10-11-22-23(12-17)27-16-26-22/h1-3,6-7,10-13,19H,4-5,8-9,14-16H2
InChIKeyQMWZRWWHQVWIEB-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.02
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine

N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine (PubChem CID 30588730) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine
PubChem CID30588730
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine
SMILESc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)on2)cc1
InChIInChI=1S/C23H24N2O3/c1-2-6-18(7-3-1)21-13-20(28-24-21)15-25(19-8-4-5-9-19)14-17-10-11-22-23(12-17)27-16-26-22/h1-3,6-7,10-13,19H,4-5,8-9,14-16H2
InChIKeyQMWZRWWHQVWIEB-UHFFFAOYSA-N
XLogP5.02
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine (CID 30588730) is N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine is c1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)on2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine?
The InChIKey is QMWZRWWHQVWIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-6-18(7-3-1)21-13-20(28-24-21)15-25(19-8-4-5-9-19)14-17-10-11-22-23(12-17)27-16-26-22/h1-3,6-7,10-13,19H,4-5,8-9,14-16H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine?
N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine has a molecular weight of 376.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 30588730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).