N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine

C15H18N2O3 — CID 60882439

IUPACN-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1OCc1ccno1
InChIInChI=1S/C15H18N2O3/c1-18-15-8-11(9-16-12-3-4-12)2-5-14(15)19-10-13-6-7-17-20-13/h2,5-8,12,16H,3-4,9-10H2,1H3
InChIKeyYLVNKPVPJBPQLO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.51
Rot. Bonds7

About N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 60882439) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID60882439
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1OCc1ccno1
InChIInChI=1S/C15H18N2O3/c1-18-15-8-11(9-16-12-3-4-12)2-5-14(15)19-10-13-6-7-17-20-13/h2,5-8,12,16H,3-4,9-10H2,1H3
InChIKeyYLVNKPVPJBPQLO-UHFFFAOYSA-N
XLogP2.51
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]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-[[3-ethoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60882032
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
N-[[6-methyl-3-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79158297
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294375
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 60882439) is N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine is COc1cc(CNC2CC2)ccc1OCc1ccno1.
What is the InChIKey of N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is YLVNKPVPJBPQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-18-15-8-11(9-16-12-3-4-12)2-5-14(15)19-10-13-6-7-17-20-13/h2,5-8,12,16H,3-4,9-10H2,1H3.
What are the key properties of N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 274.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60882439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).