N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine

C11H14N2O2S — CID 106927475

IUPACN-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CSc2ncco2)o1
InChIInChI=1S/C11H14N2O2S/c1-2-12-7-9-3-4-10(15-9)8-16-11-13-5-6-14-11/h3-6,12H,2,7-8H2,1H3
InChIKeyOUMSZYQBEYRTDN-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.67
Rot. Bonds6

About N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine

N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 106927475) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID106927475
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CSc2ncco2)o1
InChIInChI=1S/C11H14N2O2S/c1-2-12-7-9-3-4-10(15-9)8-16-11-13-5-6-14-11/h3-6,12H,2,7-8H2,1H3
InChIKeyOUMSZYQBEYRTDN-UHFFFAOYSA-N
XLogP2.67
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927384
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine
CID 104604770
5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 106925526
N-[[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 106926444
N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]ethanamine
CID 114792502
4-chloro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921858
N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887414
N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887614
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
CID 130608822

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine (CID 106927475) is N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(CSc2ncco2)o1.
What is the InChIKey of N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is OUMSZYQBEYRTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-12-7-9-3-4-10(15-9)8-16-11-13-5-6-14-11/h3-6,12H,2,7-8H2,1H3.
What are the key properties of N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106927475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).