N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine

C15H20N4O2 — CID 79782731

IUPACN-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2noc(C3CC3)n2)cn1
InChIInChI=1S/C15H20N4O2/c1-10(2)16-7-12-5-6-13(8-17-12)20-9-14-18-15(21-19-14)11-3-4-11/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3
InChIKeyDMTPXMCBRXCGJB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.42
Rot. Bonds7

About N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine

N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79782731) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
PubChem CID79782731
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2noc(C3CC3)n2)cn1
InChIInChI=1S/C15H20N4O2/c1-10(2)16-7-12-5-6-13(8-17-12)20-9-14-18-15(21-19-14)11-3-4-11/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3
InChIKeyDMTPXMCBRXCGJB-UHFFFAOYSA-N
XLogP2.42
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine (CID 79782731) is N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2noc(C3CC3)n2)cn1.
What is the InChIKey of N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is DMTPXMCBRXCGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)16-7-12-5-6-13(8-17-12)20-9-14-18-15(21-19-14)11-3-4-11/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79782731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).