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

C21H22N4O4 — CID 71453717

IUPAC2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/m0/s1
InChIKeyATULJSMRIAVHMJ-SFHVURJKSA-N
MW394.43 g/mol
LogP3.27
Rot. Bonds8

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

2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate (PubChem CID 71453717) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
PubChem CID71453717
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/m0/s1
InChIKeyATULJSMRIAVHMJ-SFHVURJKSA-N
XLogP3.27
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

(s)-2-(5-(5-(Azetidin-2-ylmethoxy)pyridin-3-yl)isoxazol-3-yl)ethan-1-ol
CID 46191426
[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride
CID 56595438
3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride
CID 56595309
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride
CID 56595564
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole
CID 71450042
5-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]-3-(3,3-difluoropropyl)-1,2-oxazole
CID 71455410
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
CID 71455447
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
CID 71457187
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole
CID 71460892
4-[5-(4-Ethoxyphenyl)-1,2-oxazol-3-YL]-N-[(pyridin-3-YL)methyl]butanamide
CID 5308862
trans-(1S,3S)-3-[[6-[4-[[(3,5-difluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 150134920
trans-(1S,3S)-3-[[6-[4-[[(4-fluorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 152069844

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-phenylcarbamate?
The IUPAC name of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate (CID 71453717) is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate.
What is the SMILES notation for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate?
The canonical SMILES for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate is O=C(Nc1ccccc1)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-phenylcarbamate?
The InChIKey is ATULJSMRIAVHMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/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-phenylcarbamate?
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate has a molecular weight of 394.43 g/mol, XLogP of 3.27, 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-phenylcarbamate is sourced from PubChem (CID 71453717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).