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

C13H12ClFN2O — CID 82879138

IUPACN-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2nc(CNC3CC3)co2)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c14-11-5-8(1-4-12(11)15)13-17-10(7-18-13)6-16-9-2-3-9/h1,4-5,7,9,16H,2-3,6H2
InChIKeyIWNGCCUVMULRAU-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.39
Rot. Bonds4

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

N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 82879138) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID82879138
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC NameN-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2nc(CNC3CC3)co2)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c14-11-5-8(1-4-12(11)15)13-17-10(7-18-13)6-16-9-2-3-9/h1,4-5,7,9,16H,2-3,6H2
InChIKeyIWNGCCUVMULRAU-UHFFFAOYSA-N
XLogP3.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
N-[[2-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288388
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
N-[[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 82880087
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 102885629
N-[[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82878882
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114376117
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine
CID 56662457
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288509
1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56662047

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 82879138) is N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is Fc1ccc(-c2nc(CNC3CC3)co2)cc1Cl.
What is the InChIKey of N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IWNGCCUVMULRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-11-5-8(1-4-12(11)15)13-17-10(7-18-13)6-16-9-2-3-9/h1,4-5,7,9,16H,2-3,6H2.
What are the key properties of N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 266.70 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82879138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).