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

C16H20N2O3 — CID 60889757

IUPACN-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCOc1cccc(CNC2CC2)c1OCc1cc(C)on1
InChIInChI=1S/C16H20N2O3/c1-11-8-14(18-21-11)10-20-16-12(9-17-13-6-7-13)4-3-5-15(16)19-2/h3-5,8,13,17H,6-7,9-10H2,1-2H3
InChIKeyRAWJLCXKMOTASD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.82
Rot. Bonds7

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

N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 60889757) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID60889757
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCOc1cccc(CNC2CC2)c1OCc1cc(C)on1
InChIInChI=1S/C16H20N2O3/c1-11-8-14(18-21-11)10-20-16-12(9-17-13-6-7-13)4-3-5-15(16)19-2/h3-5,8,13,17H,6-7,9-10H2,1-2H3
InChIKeyRAWJLCXKMOTASD-UHFFFAOYSA-N
XLogP2.82
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63046065
N-[[3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609097
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 60889757) is N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine is COc1cccc(CNC2CC2)c1OCc1cc(C)on1.
What is the InChIKey of N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is RAWJLCXKMOTASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-8-14(18-21-11)10-20-16-12(9-17-13-6-7-13)4-3-5-15(16)19-2/h3-5,8,13,17H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 288.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60889757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).