[1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate

C25H28N4O5 — CID 175149839

IUPAC[1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3)cn2)CC1
InChIInChI=1S/C25H28N4O5/c1-16-23(27-25(31)32-17(2)19-7-5-4-6-8-19)24(34-28-16)20-9-10-22(26-15-20)29-13-11-21(12-14-29)33-18(3)30/h4-10,15,17,21H,11-14H2,1-3H3,(H,27,31)
InChIKeyJXWNVSSZPLWOGU-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.89
Rot. Bonds6

About [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate

[1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate (PubChem CID 175149839) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate
PubChem CID175149839
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name[1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3)cn2)CC1
InChIInChI=1S/C25H28N4O5/c1-16-23(27-25(31)32-17(2)19-7-5-4-6-8-19)24(34-28-16)20-9-10-22(26-15-20)29-13-11-21(12-14-29)33-18(3)30/h4-10,15,17,21H,11-14H2,1-3H3,(H,27,31)
InChIKeyJXWNVSSZPLWOGU-UHFFFAOYSA-N
XLogP4.89
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate?
The IUPAC name of [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate (CID 175149839) is [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate.
What is the SMILES notation for [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate?
The canonical SMILES for [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate is CC(=O)OC1CCN(c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3)cn2)CC1.
What is the InChIKey of [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate?
The InChIKey is JXWNVSSZPLWOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-16-23(27-25(31)32-17(2)19-7-5-4-6-8-19)24(34-28-16)20-9-10-22(26-15-20)29-13-11-21(12-14-29)33-18(3)30/h4-10,15,17,21H,11-14H2,1-3H3,(H,27,31).
What are the key properties of [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate?
[1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate has a molecular weight of 464.52 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]piperidin-4-yl] acetate is sourced from PubChem (CID 175149839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).