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

C15H18N2O3 — CID 79146136

IUPACN-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2ocnc2CNC2CC2)c1OC
InChIInChI=1S/C15H18N2O3/c1-18-13-5-3-4-11(15(13)19-2)14-12(17-9-20-14)8-16-10-6-7-10/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyXQFKYXNPCAOFAP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.61
Rot. Bonds6

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

N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79146136) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79146136
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2ocnc2CNC2CC2)c1OC
InChIInChI=1S/C15H18N2O3/c1-18-13-5-3-4-11(15(13)19-2)14-12(17-9-20-14)8-16-10-6-7-10/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyXQFKYXNPCAOFAP-UHFFFAOYSA-N
XLogP2.61
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145568
N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145567
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144718
N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887909
N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 106856519
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146134
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79144744
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145659
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[5-(5-bromo-2-iodophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114032303
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79140406

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79146136) is N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is COc1cccc(-c2ocnc2CNC2CC2)c1OC.
What is the InChIKey of N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is XQFKYXNPCAOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-18-13-5-3-4-11(15(13)19-2)14-12(17-9-20-14)8-16-10-6-7-10/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 274.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79146136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).