2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate

C18H24N4O4 — CID 71460849

IUPAC2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1
InChIInChI=1S/C18H24N4O4/c1-2-20-18(23)24-7-5-14-9-17(26-22-14)13-8-16(11-19-10-13)25-12-15-4-3-6-21-15/h8-11,15,21H,2-7,12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyWYJACLVBUWRJLU-HNNXBMFYSA-N
MW360.41 g/mol
LogP2.16
Rot. Bonds8

About 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate

2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate (PubChem CID 71460849) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
PubChem CID71460849
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1
InChIInChI=1S/C18H24N4O4/c1-2-20-18(23)24-7-5-14-9-17(26-22-14)13-8-16(11-19-10-13)25-12-15-4-3-6-21-15/h8-11,15,21H,2-7,12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyWYJACLVBUWRJLU-HNNXBMFYSA-N
XLogP2.16
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate?
The IUPAC name of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate (CID 71460849) is 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate.
What is the SMILES notation for 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate?
The canonical SMILES for 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate is CCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1.
What is the InChIKey of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate?
The InChIKey is WYJACLVBUWRJLU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-2-20-18(23)24-7-5-14-9-17(26-22-14)13-8-16(11-19-10-13)25-12-15-4-3-6-21-15/h8-11,15,21H,2-7,12H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate?
2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate has a molecular weight of 360.41 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate is sourced from PubChem (CID 71460849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).