N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine

C16H20N2O3 — CID 60882032

IUPACN-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCCOc1cc(CNC2CC2)ccc1OCc1ccno1
InChIInChI=1S/C16H20N2O3/c1-2-19-16-9-12(10-17-13-4-5-13)3-6-15(16)20-11-14-7-8-18-21-14/h3,6-9,13,17H,2,4-5,10-11H2,1H3
InChIKeyJLUIFOMFRAXOIS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.90
Rot. Bonds8

About N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 60882032) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID60882032
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCCOc1cc(CNC2CC2)ccc1OCc1ccno1
InChIInChI=1S/C16H20N2O3/c1-2-19-16-9-12(10-17-13-4-5-13)3-6-15(16)20-11-14-7-8-18-21-14/h3,6-9,13,17H,2,4-5,10-11H2,1H3
InChIKeyJLUIFOMFRAXOIS-UHFFFAOYSA-N
XLogP2.90
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60882439
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]cyclopropanamine;dihydrochloride
CID 17055884
N-[[6-methyl-3-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79158297
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[[4-[(E)-but-2-enoxy]-3-ethoxyphenyl]methyl]cyclopropanamine
CID 60881654
N-[[4-(cyclopropylmethoxymethoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 106929132
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]cyclooctanamine;dihydrochloride
CID 17055896
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
N-[[3-ethoxy-4-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471427
N-[[4-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 79168172
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 60882032) is N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine is CCOc1cc(CNC2CC2)ccc1OCc1ccno1.
What is the InChIKey of N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is JLUIFOMFRAXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-19-16-9-12(10-17-13-4-5-13)3-6-15(16)20-11-14-7-8-18-21-14/h3,6-9,13,17H,2,4-5,10-11H2,1H3.
What are the key properties of N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 288.35 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60882032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).