N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C15H17FN2O2 — CID 107661286

IUPACN-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCc1cccc(OCc2cc(CNC3CC3)no2)c1F
InChIInChI=1S/C15H17FN2O2/c1-10-3-2-4-14(15(10)16)19-9-13-7-12(18-20-13)8-17-11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3
InChIKeyMGECBKGPBRPBLG-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.95
Rot. Bonds6

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

N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 107661286) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID107661286
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCc1cccc(OCc2cc(CNC3CC3)no2)c1F
InChIInChI=1S/C15H17FN2O2/c1-10-3-2-4-14(15(10)16)19-9-13-7-12(18-20-13)8-17-11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3
InChIKeyMGECBKGPBRPBLG-UHFFFAOYSA-N
XLogP2.95
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 102986776
N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107661175
N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62459429
N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62452592
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 107661295
N-[[5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62449798
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 107661286) is N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is Cc1cccc(OCc2cc(CNC3CC3)no2)c1F.
What is the InChIKey of N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is MGECBKGPBRPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-3-2-4-14(15(10)16)19-9-13-7-12(18-20-13)8-17-11-5-6-11/h2-4,7,11,17H,5-6,8-9H2,1H3.
What are the key properties of N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 276.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107661286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).