N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C16H20N2O2 — CID 79145659

IUPACN-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)Oc1cccc(-c2ocnc2CNC2CC2)c1
InChIInChI=1S/C16H20N2O2/c1-11(2)20-14-5-3-4-12(8-14)16-15(18-10-19-16)9-17-13-6-7-13/h3-5,8,10-11,13,17H,6-7,9H2,1-2H3
InChIKeyOQFXUTGSTKBUDM-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.38
Rot. Bonds6

About N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79145659) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79145659
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)Oc1cccc(-c2ocnc2CNC2CC2)c1
InChIInChI=1S/C16H20N2O2/c1-11(2)20-14-5-3-4-12(8-14)16-15(18-10-19-16)9-17-13-6-7-13/h3-5,8,10-11,13,17H,6-7,9H2,1-2H3
InChIKeyOQFXUTGSTKBUDM-UHFFFAOYSA-N
XLogP3.38
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.38
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-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79145659) is N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is CC(C)Oc1cccc(-c2ocnc2CNC2CC2)c1.
What is the InChIKey of N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is OQFXUTGSTKBUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)20-14-5-3-4-12(8-14)16-15(18-10-19-16)9-17-13-6-7-13/h3-5,8,10-11,13,17H,6-7,9H2,1-2H3.
What are the key properties of N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 272.35 g/mol, XLogP of 3.38, 6 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-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79145659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).