N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine

C10H18N2O2 — CID 79139957

IUPACN-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine
SMILESCCCOCCc1ocnc1CNC
InChIInChI=1S/C10H18N2O2/c1-3-5-13-6-4-10-9(7-11-2)12-8-14-10/h8,11H,3-7H2,1-2H3
InChIKeyVHIRBJJDMRBIOJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.36
Rot. Bonds7

About N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine

N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139957) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139957
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine
SMILESCCCOCCc1ocnc1CNC
InChIInChI=1S/C10H18N2O2/c1-3-5-13-6-4-10-9(7-11-2)12-8-14-10/h8,11H,3-7H2,1-2H3
InChIKeyVHIRBJJDMRBIOJ-UHFFFAOYSA-N
XLogP1.36
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine (CID 79139957) is N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine is CCCOCCc1ocnc1CNC.
What is the InChIKey of N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is VHIRBJJDMRBIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-13-6-4-10-9(7-11-2)12-8-14-10/h8,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 198.27 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).