(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C15H21N5O — CID 124754289

IUPAC(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESC[C@@H](c1ccncn1)N(C)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C15H21N5O/c1-11(13-7-8-16-10-17-13)20(2)9-14-18-15(21-19-14)12-5-3-4-6-12/h7-8,10-12H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyNRCGCECEFACNCY-NSHDSACASA-N
MW287.37 g/mol
LogP2.71
Rot. Bonds5

About (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine

(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 124754289) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID124754289
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESC[C@@H](c1ccncn1)N(C)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C15H21N5O/c1-11(13-7-8-16-10-17-13)20(2)9-14-18-15(21-19-14)12-5-3-4-6-12/h7-8,10-12H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyNRCGCECEFACNCY-NSHDSACASA-N
XLogP2.71
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 124754289) is (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine is C[C@@H](c1ccncn1)N(C)Cc1noc(C2CCCC2)n1.
What is the InChIKey of (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is NRCGCECEFACNCY-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(13-7-8-16-10-17-13)20(2)9-14-18-15(21-19-14)12-5-3-4-6-12/h7-8,10-12H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 287.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 124754289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).