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

C17H22N2O2 — CID 62452592

IUPACN-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)c1cccc(OCc2cc(CNC3CC3)no2)c1
InChIInChI=1S/C17H22N2O2/c1-12(2)13-4-3-5-16(8-13)20-11-17-9-15(19-21-17)10-18-14-6-7-14/h3-5,8-9,12,14,18H,6-7,10-11H2,1-2H3
InChIKeyKDFZFENIRDRUCQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.63
Rot. Bonds7

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

N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62452592) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62452592
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)c1cccc(OCc2cc(CNC3CC3)no2)c1
InChIInChI=1S/C17H22N2O2/c1-12(2)13-4-3-5-16(8-13)20-11-17-9-15(19-21-17)10-18-14-6-7-14/h3-5,8-9,12,14,18H,6-7,10-11H2,1-2H3
InChIKeyKDFZFENIRDRUCQ-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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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62452592) is N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CC(C)c1cccc(OCc2cc(CNC3CC3)no2)c1.
What is the InChIKey of N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is KDFZFENIRDRUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)13-4-3-5-16(8-13)20-11-17-9-15(19-21-17)10-18-14-6-7-14/h3-5,8-9,12,14,18H,6-7,10-11H2,1-2H3.
What are the key properties of N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[(3-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-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62452592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).