2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine

C14H20N2O3 — CID 112587266

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine
SMILESCC(C)(C)OCCOCc1nc2c(N)cccc2o1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)18-8-7-17-9-12-16-13-10(15)5-4-6-11(13)19-12/h4-6H,7-9,15H2,1-3H3
InChIKeyIDRDLKQSGGDUJX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine

2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine (PubChem CID 112587266) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine
PubChem CID112587266
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine
SMILESCC(C)(C)OCCOCc1nc2c(N)cccc2o1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)18-8-7-17-9-12-16-13-10(15)5-4-6-11(13)19-12/h4-6H,7-9,15H2,1-3H3
InChIKeyIDRDLKQSGGDUJX-UHFFFAOYSA-N
XLogP2.74
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine (CID 112587266) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine is CC(C)(C)OCCOCc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine?
The InChIKey is IDRDLKQSGGDUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)18-8-7-17-9-12-16-13-10(15)5-4-6-11(13)19-12/h4-6H,7-9,15H2,1-3H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine has a molecular weight of 264.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 112587266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).