ethane;bis(2-methylpropane);1,3-oxazole;thiophene

C19H39NOS — CID 160819675

IUPACethane;bis(2-methylpropane);1,3-oxazole;thiophene
SMILESCC.CC.CC(C)C.CC(C)C.c1ccsc1.c1cocn1
InChIInChI=1S/C4H4S.2C4H10.C3H3NO.2C2H6/c1-2-4-5-3-1;2*1-4(2)3;1-2-5-3-4-1;2*1-2/h1-4H;2*4H,1-3H3;1-3H;2*1-2H3
InChIKeySFJHQHLZFATZOW-UHFFFAOYSA-N
MW329.59 g/mol
LogP7.80
Rot. Bonds

About ethane;bis(2-methylpropane);1,3-oxazole;thiophene

ethane;bis(2-methylpropane);1,3-oxazole;thiophene (PubChem CID 160819675) has the molecular formula C19H39NOS and a molecular weight of 329.59 g/mol. Its IUPAC name is ethane;bis(2-methylpropane);1,3-oxazole;thiophene.

Molecular Properties

Compound Nameethane;bis(2-methylpropane);1,3-oxazole;thiophene
PubChem CID160819675
Molecular FormulaC19H39NOS
Molecular Weight329.59 g/mol
Exact Mass329.28
IUPAC Nameethane;bis(2-methylpropane);1,3-oxazole;thiophene
SMILESCC.CC.CC(C)C.CC(C)C.c1ccsc1.c1cocn1
InChIInChI=1S/C4H4S.2C4H10.C3H3NO.2C2H6/c1-2-4-5-3-1;2*1-4(2)3;1-2-5-3-4-1;2*1-2/h1-4H;2*4H,1-3H3;1-3H;2*1-2H3
InChIKeySFJHQHLZFATZOW-UHFFFAOYSA-N
XLogP7.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.59
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-methylpropane);1,3-oxazole;thiophene?
The IUPAC name of ethane;bis(2-methylpropane);1,3-oxazole;thiophene (CID 160819675) is ethane;bis(2-methylpropane);1,3-oxazole;thiophene.
What is the SMILES notation for ethane;bis(2-methylpropane);1,3-oxazole;thiophene?
The canonical SMILES for ethane;bis(2-methylpropane);1,3-oxazole;thiophene is CC.CC.CC(C)C.CC(C)C.c1ccsc1.c1cocn1.
What is the InChIKey of ethane;bis(2-methylpropane);1,3-oxazole;thiophene?
The InChIKey is SFJHQHLZFATZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.2C4H10.C3H3NO.2C2H6/c1-2-4-5-3-1;2*1-4(2)3;1-2-5-3-4-1;2*1-2/h1-4H;2*4H,1-3H3;1-3H;2*1-2H3.
What are the key properties of ethane;bis(2-methylpropane);1,3-oxazole;thiophene?
ethane;bis(2-methylpropane);1,3-oxazole;thiophene has a molecular weight of 329.59 g/mol, XLogP of 7.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-methylpropane);1,3-oxazole;thiophene is sourced from PubChem (CID 160819675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).