ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole

C10H21NO — CID 155701998

IUPACethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
SMILESCC.CCC1=C(C(C)C)OCN1
InChIInChI=1S/C8H15NO.C2H6/c1-4-7-8(6(2)3)10-5-9-7;1-2/h6,9H,4-5H2,1-3H3;1-2H3
InChIKeyUTTJFACQHQDYTJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.87
Rot. Bonds2

About ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole

ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole (PubChem CID 155701998) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Nameethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
PubChem CID155701998
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
SMILESCC.CCC1=C(C(C)C)OCN1
InChIInChI=1S/C8H15NO.C2H6/c1-4-7-8(6(2)3)10-5-9-7;1-2/h6,9H,4-5H2,1-3H3;1-2H3
InChIKeyUTTJFACQHQDYTJ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole?
The IUPAC name of ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole (CID 155701998) is ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole is CC.CCC1=C(C(C)C)OCN1.
What is the InChIKey of ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole?
The InChIKey is UTTJFACQHQDYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-4-7-8(6(2)3)10-5-9-7;1-2/h6,9H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole?
ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole has a molecular weight of 171.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 155701998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).