1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine

C11H14N2O2S — CID 106921969

IUPAC1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1coc(SC(c2ccco2)C(C)N)n1
InChIInChI=1S/C11H14N2O2S/c1-7-6-15-11(13-7)16-10(8(2)12)9-4-3-5-14-9/h3-6,8,10H,12H2,1-2H3
InChIKeyNGPPOHAHJLBLKC-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.76
Rot. Bonds4

About 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine

1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 106921969) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
PubChem CID106921969
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1coc(SC(c2ccco2)C(C)N)n1
InChIInChI=1S/C11H14N2O2S/c1-7-6-15-11(13-7)16-10(8(2)12)9-4-3-5-14-9/h3-6,8,10H,12H2,1-2H3
InChIKeyNGPPOHAHJLBLKC-UHFFFAOYSA-N
XLogP2.76
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine (CID 106921969) is 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine is Cc1coc(SC(c2ccco2)C(C)N)n1.
What is the InChIKey of 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is NGPPOHAHJLBLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7-6-15-11(13-7)16-10(8(2)12)9-4-3-5-14-9/h3-6,8,10H,12H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 238.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 106921969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).