5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine

C14H18N2O2 — CID 90969055

IUPAC5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine
SMILESCC1(C)OC(c2ccc3oc(N)nc3c2)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-13(2)11(18-14(13,3)4)8-5-6-10-9(7-8)16-12(15)17-10/h5-7,11H,1-4H3,(H2,15,16)
InChIKeyZWVHRHDRYIAYQJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.29
Rot. Bonds1

About 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine

5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 90969055) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine
PubChem CID90969055
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine
SMILESCC1(C)OC(c2ccc3oc(N)nc3c2)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-13(2)11(18-14(13,3)4)8-5-6-10-9(7-8)16-12(15)17-10/h5-7,11H,1-4H3,(H2,15,16)
InChIKeyZWVHRHDRYIAYQJ-UHFFFAOYSA-N
XLogP3.29
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine (CID 90969055) is 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine is CC1(C)OC(c2ccc3oc(N)nc3c2)C1(C)C.
What is the InChIKey of 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is ZWVHRHDRYIAYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-13(2)11(18-14(13,3)4)8-5-6-10-9(7-8)16-12(15)17-10/h5-7,11H,1-4H3,(H2,15,16).
What are the key properties of 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine?
5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 246.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 90969055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).