N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

C15H26N2O2 — CID 56775668

IUPACN,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCCN(CC)C1(Cc2cc(CC(C)C)on2)COC1
InChIInChI=1S/C15H26N2O2/c1-5-17(6-2)15(10-18-11-15)9-13-8-14(19-16-13)7-12(3)4/h8,12H,5-7,9-11H2,1-4H3
InChIKeyHRHIBLWRSNWFOL-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.53
Rot. Bonds7

About N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775668) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775668
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCCN(CC)C1(Cc2cc(CC(C)C)on2)COC1
InChIInChI=1S/C15H26N2O2/c1-5-17(6-2)15(10-18-11-15)9-13-8-14(19-16-13)7-12(3)4/h8,12H,5-7,9-11H2,1-4H3
InChIKeyHRHIBLWRSNWFOL-UHFFFAOYSA-N
XLogP2.53
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775668) is N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is CCN(CC)C1(Cc2cc(CC(C)C)on2)COC1.
What is the InChIKey of N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is HRHIBLWRSNWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-17(6-2)15(10-18-11-15)9-13-8-14(19-16-13)7-12(3)4/h8,12H,5-7,9-11H2,1-4H3.
What are the key properties of N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 266.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).