2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine

C12H14N2O2 — CID 81330048

IUPAC2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine
SMILESCC1CCC(c2nc3ccc(N)cc3o2)O1
InChIInChI=1S/C12H14N2O2/c1-7-2-5-10(15-7)12-14-9-4-3-8(13)6-11(9)16-12/h3-4,6-7,10H,2,5,13H2,1H3
InChIKeyWBUDGNMANOEKFQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.65
Rot. Bonds1

About 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine

2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine (PubChem CID 81330048) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine
PubChem CID81330048
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine
SMILESCC1CCC(c2nc3ccc(N)cc3o2)O1
InChIInChI=1S/C12H14N2O2/c1-7-2-5-10(15-7)12-14-9-4-3-8(13)6-11(9)16-12/h3-4,6-7,10H,2,5,13H2,1H3
InChIKeyWBUDGNMANOEKFQ-UHFFFAOYSA-N
XLogP2.65
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine (CID 81330048) is 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine is CC1CCC(c2nc3ccc(N)cc3o2)O1.
What is the InChIKey of 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine?
The InChIKey is WBUDGNMANOEKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-2-5-10(15-7)12-14-9-4-3-8(13)6-11(9)16-12/h3-4,6-7,10H,2,5,13H2,1H3.
What are the key properties of 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine?
2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine has a molecular weight of 218.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-2-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 81330048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).