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

C14H16N2O2 — CID 79145568

IUPACN-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1-c1ocnc1CNC1CC1
InChIInChI=1S/C14H16N2O2/c1-17-13-5-3-2-4-11(13)14-12(16-9-18-14)8-15-10-6-7-10/h2-5,9-10,15H,6-8H2,1H3
InChIKeyZIQZRICTXMTUKK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.60
Rot. Bonds5

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

N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79145568) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79145568
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1-c1ocnc1CNC1CC1
InChIInChI=1S/C14H16N2O2/c1-17-13-5-3-2-4-11(13)14-12(16-9-18-14)8-15-10-6-7-10/h2-5,9-10,15H,6-8H2,1H3
InChIKeyZIQZRICTXMTUKK-UHFFFAOYSA-N
XLogP2.60
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79145568) is N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is COc1ccccc1-c1ocnc1CNC1CC1.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZIQZRICTXMTUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-5-3-2-4-11(13)14-12(16-9-18-14)8-15-10-6-7-10/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 244.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79145568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).