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

C22H24N4O4 — CID 71455446

IUPAC2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1
InChIInChI=1S/C22H24N4O4/c27-22(25-17-5-2-1-3-6-17)28-10-8-18-12-21(30-26-18)16-11-20(14-23-13-16)29-15-19-7-4-9-24-19/h1-3,5-6,11-14,19,24H,4,7-10,15H2,(H,25,27)/t19-/m0/s1
InChIKeyRQPNQHQLEYYZLR-IBGZPJMESA-N
MW408.46 g/mol
LogP3.66
Rot. Bonds8

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

2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate (PubChem CID 71455446) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
PubChem CID71455446
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1
InChIInChI=1S/C22H24N4O4/c27-22(25-17-5-2-1-3-6-17)28-10-8-18-12-21(30-26-18)16-11-20(14-23-13-16)29-15-19-7-4-9-24-19/h1-3,5-6,11-14,19,24H,4,7-10,15H2,(H,25,27)/t19-/m0/s1
InChIKeyRQPNQHQLEYYZLR-IBGZPJMESA-N
XLogP3.66
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride
CID 68611403
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
(E)-but-2-enedioic acid;3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 67586557
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569

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-phenylcarbamate?
The IUPAC name of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate (CID 71455446) is 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate.
What is the SMILES notation for 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate?
The canonical SMILES for 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate is O=C(Nc1ccccc1)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-phenylcarbamate?
The InChIKey is RQPNQHQLEYYZLR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O4/c27-22(25-17-5-2-1-3-6-17)28-10-8-18-12-21(30-26-18)16-11-20(14-23-13-16)29-15-19-7-4-9-24-19/h1-3,5-6,11-14,19,24H,4,7-10,15H2,(H,25,27)/t19-/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-phenylcarbamate?
2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate has a molecular weight of 408.46 g/mol, XLogP of 3.66, 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-phenylcarbamate is sourced from PubChem (CID 71455446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).