N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine

C8H12N2O2 — CID 131196732

IUPACN-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine
SMILESCc1ocnc1CNC1COC1
InChIInChI=1S/C8H12N2O2/c1-6-8(10-5-12-6)2-9-7-3-11-4-7/h5,7,9H,2-4H2,1H3
InChIKeyPLFCEHWOFSNBES-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.47
Rot. Bonds3

About N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine

N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine (PubChem CID 131196732) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine
PubChem CID131196732
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine
SMILESCc1ocnc1CNC1COC1
InChIInChI=1S/C8H12N2O2/c1-6-8(10-5-12-6)2-9-7-3-11-4-7/h5,7,9H,2-4H2,1H3
InChIKeyPLFCEHWOFSNBES-UHFFFAOYSA-N
XLogP0.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine (CID 131196732) is N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine is Cc1ocnc1CNC1COC1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine?
The InChIKey is PLFCEHWOFSNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-8(10-5-12-6)2-9-7-3-11-4-7/h5,7,9H,2-4H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine?
N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine has a molecular weight of 168.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 131196732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).