1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine

C18H16N2O2S2 — CID 75389139

IUPAC1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine
SMILESc1coc(CN(Cc2cccs2)Cc2cnoc2-c2cccs2)c1
InChIInChI=1S/C18H16N2O2S2/c1-4-15(21-7-1)12-20(13-16-5-2-8-23-16)11-14-10-19-22-18(14)17-6-3-9-24-17/h1-10H,11-13H2
InChIKeyBVSFFUQHCGBICH-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.26
Rot. Bonds7

About 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine

1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine (PubChem CID 75389139) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine
PubChem CID75389139
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine
SMILESc1coc(CN(Cc2cccs2)Cc2cnoc2-c2cccs2)c1
InChIInChI=1S/C18H16N2O2S2/c1-4-15(21-7-1)12-20(13-16-5-2-8-23-16)11-14-10-19-22-18(14)17-6-3-9-24-17/h1-10H,11-13H2
InChIKeyBVSFFUQHCGBICH-UHFFFAOYSA-N
XLogP5.26
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine (CID 75389139) is 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine is c1coc(CN(Cc2cccs2)Cc2cnoc2-c2cccs2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine?
The InChIKey is BVSFFUQHCGBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-4-15(21-7-1)12-20(13-16-5-2-8-23-16)11-14-10-19-22-18(14)17-6-3-9-24-17/h1-10H,11-13H2.
What are the key properties of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine?
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine has a molecular weight of 356.47 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 75389139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).