N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine

C12H23N3O2 — CID 55140120

IUPACN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCc1cc(CN(C)CCCOC)on1
InChIInChI=1S/C12H23N3O2/c1-4-13-9-11-8-12(17-14-11)10-15(2)6-5-7-16-3/h8,13H,4-7,9-10H2,1-3H3
InChIKeySMUIBNCITWTRTQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.25
Rot. Bonds9

About N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine

N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 55140120) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID55140120
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCc1cc(CN(C)CCCOC)on1
InChIInChI=1S/C12H23N3O2/c1-4-13-9-11-8-12(17-14-11)10-15(2)6-5-7-16-3/h8,13H,4-7,9-10H2,1-3H3
InChIKeySMUIBNCITWTRTQ-UHFFFAOYSA-N
XLogP1.25
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine (CID 55140120) is N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine is CCNCc1cc(CN(C)CCCOC)on1.
What is the InChIKey of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is SMUIBNCITWTRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-13-9-11-8-12(17-14-11)10-15(2)6-5-7-16-3/h8,13H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 55140120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).