[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine

C10H16N2O2 — CID 115020665

IUPAC[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine
SMILESCC1(c2cnc(CN)o2)CCOCC1
InChIInChI=1S/C10H16N2O2/c1-10(2-4-13-5-3-10)8-7-12-9(6-11)14-8/h7H,2-6,11H2,1H3
InChIKeyQFGFCOOWUYEDFB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.20
Rot. Bonds2

About [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine

[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine (PubChem CID 115020665) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine
PubChem CID115020665
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine
SMILESCC1(c2cnc(CN)o2)CCOCC1
InChIInChI=1S/C10H16N2O2/c1-10(2-4-13-5-3-10)8-7-12-9(6-11)14-8/h7H,2-6,11H2,1H3
InChIKeyQFGFCOOWUYEDFB-UHFFFAOYSA-N
XLogP1.20
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine (CID 115020665) is [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine is CC1(c2cnc(CN)o2)CCOCC1.
What is the InChIKey of [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is QFGFCOOWUYEDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2-4-13-5-3-10)8-7-12-9(6-11)14-8/h7H,2-6,11H2,1H3.
What are the key properties of [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine?
[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115020665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).