N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine

C11H14N2O2S — CID 106925818

IUPACN-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
SMILESCC(CNCc1ccco1)Sc1ncco1
InChIInChI=1S/C11H14N2O2S/c1-9(16-11-13-4-6-15-11)7-12-8-10-3-2-5-14-10/h2-6,9,12H,7-8H2,1H3
InChIKeyXIMGFZCSDPXEEV-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.54
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine

N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine (PubChem CID 106925818) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
PubChem CID106925818
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
SMILESCC(CNCc1ccco1)Sc1ncco1
InChIInChI=1S/C11H14N2O2S/c1-9(16-11-13-4-6-15-11)7-12-8-10-3-2-5-14-10/h2-6,9,12H,7-8H2,1H3
InChIKeyXIMGFZCSDPXEEV-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925805
N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782540
N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62579170
2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62583352
2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62576351
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine
CID 62563647
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine (CID 106925818) is N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine is CC(CNCc1ccco1)Sc1ncco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is XIMGFZCSDPXEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9(16-11-13-4-6-15-11)7-12-8-10-3-2-5-14-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 238.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 106925818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).