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

C17H22N4O4 — CID 71457187

IUPAC2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C17H22N4O4/c1-2-19-17(22)23-6-4-13-8-16(25-21-13)12-7-15(10-18-9-12)24-11-14-3-5-20-14/h7-10,14,20H,2-6,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyRBLSIFSCIAMBSU-AWEZNQCLSA-N
MW346.39 g/mol
LogP1.77
Rot. Bonds8

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

2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate (PubChem CID 71457187) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
PubChem CID71457187
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C17H22N4O4/c1-2-19-17(22)23-6-4-13-8-16(25-21-13)12-7-15(10-18-9-12)24-11-14-3-5-20-14/h7-10,14,20H,2-6,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyRBLSIFSCIAMBSU-AWEZNQCLSA-N
XLogP1.77
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.77
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)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate?
The IUPAC name of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate (CID 71457187) is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate.
What is the SMILES notation for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate?
The canonical SMILES for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate is CCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate?
The InChIKey is RBLSIFSCIAMBSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-2-19-17(22)23-6-4-13-8-16(25-21-13)12-7-15(10-18-9-12)24-11-14-3-5-20-14/h7-10,14,20H,2-6,11H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate?
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate has a molecular weight of 346.39 g/mol, XLogP of 1.77, 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)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate is sourced from PubChem (CID 71457187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).