(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine

C5H10N2O — CID 59173126

IUPAC(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC[C@H]1COC(N)=N1
InChIInChI=1S/C5H10N2O/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)/t4-/m0/s1
InChIKeyJTEWXLMHFCOPAX-BYPYZUCNSA-N
MW114.15 g/mol
LogP0.11
Rot. Bonds1

About (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173126) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173126
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC[C@H]1COC(N)=N1
InChIInChI=1S/C5H10N2O/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)/t4-/m0/s1
InChIKeyJTEWXLMHFCOPAX-BYPYZUCNSA-N
XLogP0.11
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine (CID 59173126) is (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine is CC[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JTEWXLMHFCOPAX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)/t4-/m0/s1.
What are the key properties of (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 114.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).