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

C9H10N2O2S — CID 106927256

IUPAC[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
SMILESNCc1ccc(CSc2ncco2)o1
InChIInChI=1S/C9H10N2O2S/c10-5-7-1-2-8(13-7)6-14-9-11-3-4-12-9/h1-4H,5-6,10H2
InChIKeyYLPMDCGANJCTKQ-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.02
Rot. Bonds4

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

[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine (PubChem CID 106927256) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
PubChem CID106927256
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
SMILESNCc1ccc(CSc2ncco2)o1
InChIInChI=1S/C9H10N2O2S/c10-5-7-1-2-8(13-7)6-14-9-11-3-4-12-9/h1-4H,5-6,10H2
InChIKeyYLPMDCGANJCTKQ-UHFFFAOYSA-N
XLogP2.02
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.02
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
N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 106927475
4-chloro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921858
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106921258
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568
[6-(1,3-oxazol-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 106925681
[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 106923784
2-(3-chloropropylsulfanyl)-1,3-oxazole
CID 106920963
2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
CID 130608822
3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 106924402
(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
CID 130493422

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine?
The IUPAC name of [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine (CID 106927256) is [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine is NCc1ccc(CSc2ncco2)o1.
What is the InChIKey of [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine?
The InChIKey is YLPMDCGANJCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c10-5-7-1-2-8(13-7)6-14-9-11-3-4-12-9/h1-4H,5-6,10H2.
What are the key properties of [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine?
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine has a molecular weight of 210.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 106927256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).