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

C13H12ClFN2O — CID 65183911

IUPACN-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2cnc(CNC3CC3)o2)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c14-11-5-8(15)1-4-10(11)12-6-17-13(18-12)7-16-9-2-3-9/h1,4-6,9,16H,2-3,7H2
InChIKeyROOKVEBLIUOKTA-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.39
Rot. Bonds4

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

N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65183911) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65183911
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC NameN-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2cnc(CNC3CC3)o2)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c14-11-5-8(15)1-4-10(11)12-6-17-13(18-12)7-16-9-2-3-9/h1,4-6,9,16H,2-3,7H2
InChIKeyROOKVEBLIUOKTA-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-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 79755784
N-[[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 82880087
5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179612
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183620
N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 115504969
N-[[5-(2-bromo-5-iodophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 114026663
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183820
N-(2-chloro-4-fluorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966927
N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184115
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184308
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184310
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65183911) is N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is Fc1ccc(-c2cnc(CNC3CC3)o2)c(Cl)c1.
What is the InChIKey of N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is ROOKVEBLIUOKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-11-5-8(15)1-4-10(11)12-6-17-13(18-12)7-16-9-2-3-9/h1,4-6,9,16H,2-3,7H2.
What are the key properties of N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-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-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65183911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).