1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine

C9H15N3O — CID 80560659

IUPAC1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine
SMILESCc1cc(CNC2CC(N)C2)no1
InChIInChI=1S/C9H15N3O/c1-6-2-9(12-13-6)5-11-8-3-7(10)4-8/h2,7-8,11H,3-5,10H2,1H3
InChIKeyQYBTYPAZIGLZTD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.56
Rot. Bonds3

About 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine

1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine (PubChem CID 80560659) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine
PubChem CID80560659
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine
SMILESCc1cc(CNC2CC(N)C2)no1
InChIInChI=1S/C9H15N3O/c1-6-2-9(12-13-6)5-11-8-3-7(10)4-8/h2,7-8,11H,3-5,10H2,1H3
InChIKeyQYBTYPAZIGLZTD-UHFFFAOYSA-N
XLogP0.56
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine (CID 80560659) is 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine is Cc1cc(CNC2CC(N)C2)no1.
What is the InChIKey of 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine?
The InChIKey is QYBTYPAZIGLZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-2-9(12-13-6)5-11-8-3-7(10)4-8/h2,7-8,11H,3-5,10H2,1H3.
What are the key properties of 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine?
1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80560659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).