N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine

C8H14N2O2 — CID 62337797

IUPACN-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine
SMILESCNCC(C)OCc1cnoc1
InChIInChI=1S/C8H14N2O2/c1-7(3-9-2)11-5-8-4-10-12-6-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyJWUGADDCRFIUML-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.80
Rot. Bonds5

About N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine

N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine (PubChem CID 62337797) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine
PubChem CID62337797
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine
SMILESCNCC(C)OCc1cnoc1
InChIInChI=1S/C8H14N2O2/c1-7(3-9-2)11-5-8-4-10-12-6-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyJWUGADDCRFIUML-UHFFFAOYSA-N
XLogP0.80
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine?
The IUPAC name of N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine (CID 62337797) is N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine?
The canonical SMILES for N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine is CNCC(C)OCc1cnoc1.
What is the InChIKey of N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine?
The InChIKey is JWUGADDCRFIUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(3-9-2)11-5-8-4-10-12-6-8/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine?
N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine has a molecular weight of 170.21 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2-oxazol-4-ylmethoxy)propan-1-amine is sourced from PubChem (CID 62337797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).