4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine

C8H15N3O2 — CID 141069560

IUPAC4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine
SMILESCC1COCCN1C1CON=C1N
InChIInChI=1S/C8H15N3O2/c1-6-4-12-3-2-11(6)7-5-13-10-8(7)9/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyPEAKCUDEPQTJEN-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.62
Rot. Bonds1

About 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine

4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine (PubChem CID 141069560) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine
PubChem CID141069560
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine
SMILESCC1COCCN1C1CON=C1N
InChIInChI=1S/C8H15N3O2/c1-6-4-12-3-2-11(6)7-5-13-10-8(7)9/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyPEAKCUDEPQTJEN-UHFFFAOYSA-N
XLogP-0.62
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine (CID 141069560) is 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine is CC1COCCN1C1CON=C1N.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine?
The InChIKey is PEAKCUDEPQTJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6-4-12-3-2-11(6)7-5-13-10-8(7)9/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine?
4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine has a molecular weight of 185.23 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)-4,5-dihydro-1,2-oxazol-3-amine is sourced from PubChem (CID 141069560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).