N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine

C16H16N2OS — CID 56888188

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H16N2OS/c1-18(10-13-7-8-20-12-13)11-15-9-16(17-19-15)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3
InChIKeyHPHXYHSDQZWLFZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.04
Rot. Bonds5

About N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 56888188) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID56888188
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H16N2OS/c1-18(10-13-7-8-20-12-13)11-15-9-16(17-19-15)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3
InChIKeyHPHXYHSDQZWLFZ-UHFFFAOYSA-N
XLogP4.04
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine (CID 56888188) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine is CN(Cc1ccsc1)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is HPHXYHSDQZWLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-18(10-13-7-8-20-12-13)11-15-9-16(17-19-15)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 284.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 56888188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).