(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine

C18H16ClFN2O — CID 8636383

IUPAC(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESC[C@@H](NCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O/c1-12(13-2-6-15(19)7-3-13)21-11-18-22-10-17(23-18)14-4-8-16(20)9-5-14/h2-10,12,21H,11H2,1H3/t12-/m1/s1
InChIKeyWKEHVKLBCJTWCL-GFCCVEGCSA-N
MW330.79 g/mol
LogP4.98
Rot. Bonds5

About (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 8636383) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID8636383
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESC[C@@H](NCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O/c1-12(13-2-6-15(19)7-3-13)21-11-18-22-10-17(23-18)14-4-8-16(20)9-5-14/h2-10,12,21H,11H2,1H3/t12-/m1/s1
InChIKeyWKEHVKLBCJTWCL-GFCCVEGCSA-N
XLogP4.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 52765671
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817732
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
1-(3-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113350594
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250110
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184050
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 114015374

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 8636383) is (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine is C[C@@H](NCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is WKEHVKLBCJTWCL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c1-12(13-2-6-15(19)7-3-13)21-11-18-22-10-17(23-18)14-4-8-16(20)9-5-14/h2-10,12,21H,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 330.79 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 8636383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).