5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine

C10H16N2O2 — CID 103558593

IUPAC5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
SMILESCOC1(Cc2onc(N)c2C)CCC1
InChIInChI=1S/C10H16N2O2/c1-7-8(14-12-9(7)11)6-10(13-2)4-3-5-10/h3-6H2,1-2H3,(H2,11,12)
InChIKeyPNBZKDVMWYMHEY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.68
Rot. Bonds3

About 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine

5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine (PubChem CID 103558593) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
PubChem CID103558593
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
SMILESCOC1(Cc2onc(N)c2C)CCC1
InChIInChI=1S/C10H16N2O2/c1-7-8(14-12-9(7)11)6-10(13-2)4-3-5-10/h3-6H2,1-2H3,(H2,11,12)
InChIKeyPNBZKDVMWYMHEY-UHFFFAOYSA-N
XLogP1.68
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine (CID 103558593) is 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine is COC1(Cc2onc(N)c2C)CCC1.
What is the InChIKey of 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine?
The InChIKey is PNBZKDVMWYMHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-8(14-12-9(7)11)6-10(13-2)4-3-5-10/h3-6H2,1-2H3,(H2,11,12).
What are the key properties of 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine?
5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 103558593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).