N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine

C15H19N3O3 — CID 79783252

IUPACN-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESCOCc1cc(COc2ccc(CNC3CC3)nc2)no1
InChIInChI=1S/C15H19N3O3/c1-19-10-15-6-13(18-21-15)9-20-14-5-4-12(17-8-14)7-16-11-2-3-11/h4-6,8,11,16H,2-3,7,9-10H2,1H3
InChIKeyXQHDNINMYHEBFB-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.05
Rot. Bonds8

About N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine

N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79783252) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79783252
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESCOCc1cc(COc2ccc(CNC3CC3)nc2)no1
InChIInChI=1S/C15H19N3O3/c1-19-10-15-6-13(18-21-15)9-20-14-5-4-12(17-8-14)7-16-11-2-3-11/h4-6,8,11,16H,2-3,7,9-10H2,1H3
InChIKeyXQHDNINMYHEBFB-UHFFFAOYSA-N
XLogP2.05
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine (CID 79783252) is N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine is COCc1cc(COc2ccc(CNC3CC3)nc2)no1.
What is the InChIKey of N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XQHDNINMYHEBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-10-15-6-13(18-21-15)9-20-14-5-4-12(17-8-14)7-16-11-2-3-11/h4-6,8,11,16H,2-3,7,9-10H2,1H3.
What are the key properties of N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 289.34 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79783252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).