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

C19H19ClN2O2 — CID 52765671

IUPAC(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOc1ccc(-c2cnc(CN[C@@H](C)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H19ClN2O2/c1-13(14-3-7-16(20)8-4-14)21-12-19-22-11-18(24-19)15-5-9-17(23-2)10-6-15/h3-11,13,21H,12H2,1-2H3/t13-/m0/s1
InChIKeyXSINGSLCYKLSIT-ZDUSSCGKSA-N
MW342.83 g/mol
LogP4.85
Rot. Bonds6

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

(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 52765671) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID52765671
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOc1ccc(-c2cnc(CN[C@@H](C)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H19ClN2O2/c1-13(14-3-7-16(20)8-4-14)21-12-19-22-11-18(24-19)15-5-9-17(23-2)10-6-15/h3-11,13,21H,12H2,1-2H3/t13-/m0/s1
InChIKeyXSINGSLCYKLSIT-ZDUSSCGKSA-N
XLogP4.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 52765671) is (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine is COc1ccc(-c2cnc(CN[C@@H](C)c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is XSINGSLCYKLSIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(14-3-7-16(20)8-4-14)21-12-19-22-11-18(24-19)15-5-9-17(23-2)10-6-15/h3-11,13,21H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 342.83 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 52765671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).