N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine

C17H19N3OS — CID 75382925

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1cc(CNC(C)c2sc(-c3ccccc3)nc2C)no1
InChIInChI=1S/C17H19N3OS/c1-11-9-15(20-21-11)10-18-12(2)16-13(3)19-17(22-16)14-7-5-4-6-8-14/h4-9,12,18H,10H2,1-3H3
InChIKeyBIXYOYPPPDHWBO-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.27
Rot. Bonds5

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 75382925) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
PubChem CID75382925
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1cc(CNC(C)c2sc(-c3ccccc3)nc2C)no1
InChIInChI=1S/C17H19N3OS/c1-11-9-15(20-21-11)10-18-12(2)16-13(3)19-17(22-16)14-7-5-4-6-8-14/h4-9,12,18H,10H2,1-3H3
InChIKeyBIXYOYPPPDHWBO-UHFFFAOYSA-N
XLogP4.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine (CID 75382925) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine is Cc1cc(CNC(C)c2sc(-c3ccccc3)nc2C)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is BIXYOYPPPDHWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-9-15(20-21-11)10-18-12(2)16-13(3)19-17(22-16)14-7-5-4-6-8-14/h4-9,12,18H,10H2,1-3H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 313.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 75382925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).