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

C4H8N2O — CID 18594316

IUPAC(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@H]1COC(N)=N1
InChIInChI=1S/C4H8N2O/c1-3-2-7-4(5)6-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1
InChIKeyPIXPFRMNXPKTFS-VKHMYHEASA-N
MW100.12 g/mol
LogP-0.28
Rot. Bonds

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

(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 18594316) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID18594316
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@H]1COC(N)=N1
InChIInChI=1S/C4H8N2O/c1-3-2-7-4(5)6-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1
InChIKeyPIXPFRMNXPKTFS-VKHMYHEASA-N
XLogP-0.28
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine (CID 18594316) is (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine is C[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is PIXPFRMNXPKTFS-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-2-7-4(5)6-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1.
What are the key properties of (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 100.12 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 18594316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).