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

C10H12N2O2S — CID 106927384

IUPACN-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(CSc2ncco2)o1
InChIInChI=1S/C10H12N2O2S/c1-11-6-8-2-3-9(14-8)7-15-10-12-4-5-13-10/h2-5,11H,6-7H2,1H3
InChIKeyCZEASJWIRXQZFW-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.28
Rot. Bonds5

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

N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine (PubChem CID 106927384) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
PubChem CID106927384
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(CSc2ncco2)o1
InChIInChI=1S/C10H12N2O2S/c1-11-6-8-2-3-9(14-8)7-15-10-12-4-5-13-10/h2-5,11H,6-7H2,1H3
InChIKeyCZEASJWIRXQZFW-UHFFFAOYSA-N
XLogP2.28
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 106927475
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine
CID 102926401
N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
CID 106926441
2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
CID 130608822
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
CID 131207073
4-(1,3-oxazol-2-ylsulfanyl)butan-2-one
CID 106923954
3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106926135
1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 106927422

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine (CID 106927384) is N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine is CNCc1ccc(CSc2ncco2)o1.
What is the InChIKey of N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine?
The InChIKey is CZEASJWIRXQZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-11-6-8-2-3-9(14-8)7-15-10-12-4-5-13-10/h2-5,11H,6-7H2,1H3.
What are the key properties of N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine?
N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 106927384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).