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

C17H21FN2O — CID 56790190

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine
SMILESCc1nc(CN(CCc2cccc(F)c2)C2CC2)oc1C
InChIInChI=1S/C17H21FN2O/c1-12-13(2)21-17(19-12)11-20(16-6-7-16)9-8-14-4-3-5-15(18)10-14/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyWEWNWLUFYKDLOH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.64
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine (PubChem CID 56790190) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine
PubChem CID56790190
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine
SMILESCc1nc(CN(CCc2cccc(F)c2)C2CC2)oc1C
InChIInChI=1S/C17H21FN2O/c1-12-13(2)21-17(19-12)11-20(16-6-7-16)9-8-14-4-3-5-15(18)10-14/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyWEWNWLUFYKDLOH-UHFFFAOYSA-N
XLogP3.64
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine (CID 56790190) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine is Cc1nc(CN(CCc2cccc(F)c2)C2CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine?
The InChIKey is WEWNWLUFYKDLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-13(2)21-17(19-12)11-20(16-6-7-16)9-8-14-4-3-5-15(18)10-14/h3-5,10,16H,6-9,11H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine has a molecular weight of 288.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 56790190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).