2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate

C18H23FN2O4 — CID 68730328

IUPAC2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate
SMILESCc1cc2c(cc1F)oc(=O)n2C1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C18H23FN2O4/c1-11(2)10-24-17(22)20-6-4-13(5-7-20)21-15-8-12(3)14(19)9-16(15)25-18(21)23/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyQKZFEUYHKBOZKW-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.47
Rot. Bonds3

About 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate

2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate (PubChem CID 68730328) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate
PubChem CID68730328
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate
SMILESCc1cc2c(cc1F)oc(=O)n2C1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C18H23FN2O4/c1-11(2)10-24-17(22)20-6-4-13(5-7-20)21-15-8-12(3)14(19)9-16(15)25-18(21)23/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyQKZFEUYHKBOZKW-UHFFFAOYSA-N
XLogP3.47
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate (CID 68730328) is 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate is Cc1cc2c(cc1F)oc(=O)n2C1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate?
The InChIKey is QKZFEUYHKBOZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-11(2)10-24-17(22)20-6-4-13(5-7-20)21-15-8-12(3)14(19)9-16(15)25-18(21)23/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate?
2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate has a molecular weight of 350.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68730328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).