2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

C17H20N2O3 — CID 78846667

IUPAC2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESC=C(C)COC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O3/c1-12(2)11-21-16(20)13-7-9-19(10-8-13)17-18-14-5-3-4-6-15(14)22-17/h3-6,13H,1,7-11H2,2H3
InChIKeyAKTKAQRCCSXQAO-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.16
Rot. Bonds4

About 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (PubChem CID 78846667) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
PubChem CID78846667
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESC=C(C)COC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O3/c1-12(2)11-21-16(20)13-7-9-19(10-8-13)17-18-14-5-3-4-6-15(14)22-17/h3-6,13H,1,7-11H2,2H3
InChIKeyAKTKAQRCCSXQAO-UHFFFAOYSA-N
XLogP3.16
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (CID 78846667) is 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is C=C(C)COC(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The InChIKey is AKTKAQRCCSXQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(2)11-21-16(20)13-7-9-19(10-8-13)17-18-14-5-3-4-6-15(14)22-17/h3-6,13H,1,7-11H2,2H3.
What are the key properties of 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 78846667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).