N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine

C19H24N4O2 — CID 124752728

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCN(Cc1noc(C2CCCC2)n1)C[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C19H24N4O2/c1-23(13-18-20-19(25-22-18)15-9-5-6-10-15)12-16-11-17(21-24-16)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3/t16-/m1/s1
InChIKeyKHOSMJDKOMKKGC-MRXNPFEDSA-N
MW340.43 g/mol
LogP3.35
Rot. Bonds6

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 124752728) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID124752728
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCN(Cc1noc(C2CCCC2)n1)C[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C19H24N4O2/c1-23(13-18-20-19(25-22-18)15-9-5-6-10-15)12-16-11-17(21-24-16)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3/t16-/m1/s1
InChIKeyKHOSMJDKOMKKGC-MRXNPFEDSA-N
XLogP3.35
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 124752728) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine is CN(Cc1noc(C2CCCC2)n1)C[C@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is KHOSMJDKOMKKGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23(13-18-20-19(25-22-18)15-9-5-6-10-15)12-16-11-17(21-24-16)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3/t16-/m1/s1.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 340.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 124752728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).