(S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine

C11H10ClFN2O — CID 118021294

IUPAC(S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine
SMILESCc1ncc([C@@H](N)c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C11H10ClFN2O/c1-6-15-5-10(16-6)11(14)7-2-3-8(12)9(13)4-7/h2-5,11H,14H2,1H3/t11-/m0/s1
InChIKeyMYNHYEOZRPKDAS-NSHDSACASA-N
MW240.67 g/mol
LogP2.82
Rot. Bonds2

About (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine

(S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine (PubChem CID 118021294) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine
PubChem CID118021294
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name(S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine
SMILESCc1ncc([C@@H](N)c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C11H10ClFN2O/c1-6-15-5-10(16-6)11(14)7-2-3-8(12)9(13)4-7/h2-5,11H,14H2,1H3/t11-/m0/s1
InChIKeyMYNHYEOZRPKDAS-NSHDSACASA-N
XLogP2.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine?
The IUPAC name of (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine (CID 118021294) is (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine is Cc1ncc([C@@H](N)c2ccc(Cl)c(F)c2)o1.
What is the InChIKey of (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine?
The InChIKey is MYNHYEOZRPKDAS-NSHDSACASA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6-15-5-10(16-6)11(14)7-2-3-8(12)9(13)4-7/h2-5,11H,14H2,1H3/t11-/m0/s1.
What are the key properties of (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine?
(S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine has a molecular weight of 240.67 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chloro-3-fluorophenyl)-(2-methyl-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 118021294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).