N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C17H22N2O2 — CID 62459429

IUPACN-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccccc1OCc1cc(CNC2CC2)no1
InChIInChI=1S/C17H22N2O2/c1-12(2)16-5-3-4-6-17(16)20-11-15-9-14(19-21-15)10-18-13-7-8-13/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3
InChIKeyUKLVJBIPYXYYHU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.63
Rot. Bonds7

About N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62459429) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62459429
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccccc1OCc1cc(CNC2CC2)no1
InChIInChI=1S/C17H22N2O2/c1-12(2)16-5-3-4-6-17(16)20-11-15-9-14(19-21-15)10-18-13-7-8-13/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3
InChIKeyUKLVJBIPYXYYHU-UHFFFAOYSA-N
XLogP3.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 107661286
N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62452592
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 102986776
1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62458220
N-[[5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62449798
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62459251
N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62454563
N-[[5-[(2-bromophenyl)methoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82826186
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline
CID 62429145
(1S)-1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 66190143
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537
[5-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62458746

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62459429) is N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CC(C)c1ccccc1OCc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is UKLVJBIPYXYYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)16-5-3-4-6-17(16)20-11-15-9-14(19-21-15)10-18-13-7-8-13/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3.
What are the key properties of N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 286.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62459429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).