methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate

C19H22FN3O5 — CID 171824083

IUPACmethyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Cc2ccc(NC(=O)OCc3cnco3)cc2F)CC1
InChIInChI=1S/C19H22FN3O5/c1-26-19(25)23-6-4-13(5-7-23)8-14-2-3-15(9-17(14)20)22-18(24)27-11-16-10-21-12-28-16/h2-3,9-10,12-13H,4-8,11H2,1H3,(H,22,24)
InChIKeyPTPWOPYLAWJCET-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.58
Rot. Bonds5

About methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate

methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate (PubChem CID 171824083) has the molecular formula C19H22FN3O5 and a molecular weight of 391.40 g/mol. Its IUPAC name is methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate
PubChem CID171824083
Molecular FormulaC19H22FN3O5
Molecular Weight391.40 g/mol
Exact Mass391.15
IUPAC Namemethyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Cc2ccc(NC(=O)OCc3cnco3)cc2F)CC1
InChIInChI=1S/C19H22FN3O5/c1-26-19(25)23-6-4-13(5-7-23)8-14-2-3-15(9-17(14)20)22-18(24)27-11-16-10-21-12-28-16/h2-3,9-10,12-13H,4-8,11H2,1H3,(H,22,24)
InChIKeyPTPWOPYLAWJCET-UHFFFAOYSA-N
XLogP3.58
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate (CID 171824083) is methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate is COC(=O)N1CCC(Cc2ccc(NC(=O)OCc3cnco3)cc2F)CC1.
What is the InChIKey of methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate?
The InChIKey is PTPWOPYLAWJCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5/c1-26-19(25)23-6-4-13(5-7-23)8-14-2-3-15(9-17(14)20)22-18(24)27-11-16-10-21-12-28-16/h2-3,9-10,12-13H,4-8,11H2,1H3,(H,22,24).
What are the key properties of methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate?
methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate has a molecular weight of 391.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-fluoro-4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 171824083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).