(4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C8H15NO — CID 13173450

IUPAC(4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C8H15NO/c1-4-8-9-7(5-10-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyGQLYBKSKZMMERS-SSDOTTSWSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds2

About (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 13173450) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID13173450
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C8H15NO/c1-4-8-9-7(5-10-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyGQLYBKSKZMMERS-SSDOTTSWSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 13173450) is (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CCC1=N[C@@H](C(C)C)CO1.
What is the InChIKey of (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is GQLYBKSKZMMERS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8-9-7(5-10-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 13173450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).