N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

C10H18N2O2 — CID 62444489

IUPACN-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCOCc1cc(CNC(C)C)no1
InChIInChI=1S/C10H18N2O2/c1-4-13-7-10-5-9(12-14-10)6-11-8(2)3/h5,8,11H,4,6-7H2,1-3H3
InChIKeyDYHXEBNXGYDXTD-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.71
Rot. Bonds6

About N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62444489) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62444489
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCOCc1cc(CNC(C)C)no1
InChIInChI=1S/C10H18N2O2/c1-4-13-7-10-5-9(12-14-10)6-11-8(2)3/h5,8,11H,4,6-7H2,1-3H3
InChIKeyDYHXEBNXGYDXTD-UHFFFAOYSA-N
XLogP1.71
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62444489) is N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CCOCc1cc(CNC(C)C)no1.
What is the InChIKey of N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is DYHXEBNXGYDXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-13-7-10-5-9(12-14-10)6-11-8(2)3/h5,8,11H,4,6-7H2,1-3H3.
What are the key properties of N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 198.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62444489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).