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

C15H25N3O2 — CID 106631752

IUPACN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCOCc1cc(CN(CC2CCCCN2)C2CC2)no1
InChIInChI=1S/C15H25N3O2/c1-19-11-15-8-13(17-20-15)10-18(14-5-6-14)9-12-4-2-3-7-16-12/h8,12,14,16H,2-7,9-11H2,1H3
InChIKeyQWHDQHZFQAVNQF-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.93
Rot. Bonds7

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

N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106631752) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106631752
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCOCc1cc(CN(CC2CCCCN2)C2CC2)no1
InChIInChI=1S/C15H25N3O2/c1-19-11-15-8-13(17-20-15)10-18(14-5-6-14)9-12-4-2-3-7-16-12/h8,12,14,16H,2-7,9-11H2,1H3
InChIKeyQWHDQHZFQAVNQF-UHFFFAOYSA-N
XLogP1.93
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-propyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106610655
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
N-[(5-chloro-2-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631571
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621675
N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599857
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106865751
2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid
CID 66189953
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455
N-[(4-methoxy-3-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599006
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621751

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106631752) is N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine is COCc1cc(CN(CC2CCCCN2)C2CC2)no1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is QWHDQHZFQAVNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-19-11-15-8-13(17-20-15)10-18(14-5-6-14)9-12-4-2-3-7-16-12/h8,12,14,16H,2-7,9-11H2,1H3.
What are the key properties of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106631752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).