methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate

C21H23N3O4 — CID 22087918

IUPACmethyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate
SMILESCOC(=O)CNCc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1
InChIInChI=1S/C21H23N3O4/c1-15-18(24-21(28-15)17-6-4-3-5-7-17)10-11-27-19-9-8-16(13-23-19)12-22-14-20(25)26-2/h3-9,13,22H,10-12,14H2,1-2H3
InChIKeyUNMRHIXALOVDNS-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.93
Rot. Bonds9

About methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate

methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate (PubChem CID 22087918) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate
PubChem CID22087918
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemethyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate
SMILESCOC(=O)CNCc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1
InChIInChI=1S/C21H23N3O4/c1-15-18(24-21(28-15)17-6-4-3-5-7-17)10-11-27-19-9-8-16(13-23-19)12-22-14-20(25)26-2/h3-9,13,22H,10-12,14H2,1-2H3
InChIKeyUNMRHIXALOVDNS-UHFFFAOYSA-N
XLogP2.93
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-2-phenyl-4-[2-[[5-[2-(2H-tetrazol-5-yl)ethyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazole
CID 10937674
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-phenylmethanamine
CID 59964502
methane;2-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylamino]acetic acid
CID 158043492
methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate
CID 23568566
dimethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioate
CID 6918417
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10714801
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
methyl 2-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-3-enylamino]acetate
CID 22087867
3-[3-(benzamidomethyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979106
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate?
The IUPAC name of methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate (CID 22087918) is methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate?
The canonical SMILES for methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate is COC(=O)CNCc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1.
What is the InChIKey of methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate?
The InChIKey is UNMRHIXALOVDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-18(24-21(28-15)17-6-4-3-5-7-17)10-11-27-19-9-8-16(13-23-19)12-22-14-20(25)26-2/h3-9,13,22H,10-12,14H2,1-2H3.
What are the key properties of methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate?
methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate has a molecular weight of 381.43 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate is sourced from PubChem (CID 22087918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).