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

C44H50N4O8 — CID 158043492

IUPACmethane;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
SMILESC.Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)NCC(=O)O)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CNCC(=O)O)cc1
InChIInChI=1S/C22H24N2O4.C21H22N2O4.CH4/c1-15(23-14-21(25)26)17-8-10-19(11-9-17)27-13-12-20-16(2)28-22(24-20)18-6-4-3-5-7-18;1-15-19(23-21(27-15)17-5-3-2-4-6-17)11-12-26-18-9-7-16(8-10-18)13-22-14-20(24)25;/h3-11,15,23H,12-14H2,1-2H3,(H,25,26);2-10,22H,11-14H2,1H3,(H,24,25);1H4
InChIKeyFIQCQCXKVZCHJI-UHFFFAOYSA-N
MW762.90 g/mol
LogP8.09
Rot. Bonds18

About 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

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 (PubChem CID 158043492) has the molecular formula C44H50N4O8 and a molecular weight of 762.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID158043492
Molecular FormulaC44H50N4O8
Molecular Weight762.90 g/mol
Exact Mass762.36
IUPAC Namemethane;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
SMILESC.Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)NCC(=O)O)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CNCC(=O)O)cc1
InChIInChI=1S/C22H24N2O4.C21H22N2O4.CH4/c1-15(23-14-21(25)26)17-8-10-19(11-9-17)27-13-12-20-16(2)28-22(24-20)18-6-4-3-5-7-18;1-15-19(23-21(27-15)17-5-3-2-4-6-17)11-12-26-18-9-7-16(8-10-18)13-22-14-20(24)25;/h3-11,15,23H,12-14H2,1-2H3,(H,25,26);2-10,22H,11-14H2,1H3,(H,24,25);1H4
InChIKeyFIQCQCXKVZCHJI-UHFFFAOYSA-N
XLogP8.09
TPSA169.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.90
LogP ≤ 58.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine
CID 20723597
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-phenylmethanamine
CID 59964502
ethyl 2-[(4-fluorophenyl)methylamino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10195956
2-[(4-fluorophenyl)methylamino]-3-[4-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 22337545
dimethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioate
CID 6918417
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10714801
ethyl (2S)-2-(ethylamino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate;hydrochloride
CID 139706678
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate
CID 46837096

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)NCC(=O)O)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CNCC(=O)O)cc1.
What is the InChIKey of 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?
The InChIKey is FIQCQCXKVZCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4.C21H22N2O4.CH4/c1-15(23-14-21(25)26)17-8-10-19(11-9-17)27-13-12-20-16(2)28-22(24-20)18-6-4-3-5-7-18;1-15-19(23-21(27-15)17-5-3-2-4-6-17)11-12-26-18-9-7-16(8-10-18)13-22-14-20(24)25;/h3-11,15,23H,12-14H2,1-2H3,(H,25,26);2-10,22H,11-14H2,1H3,(H,24,25);1H4.
What are the key properties of 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?
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 has a molecular weight of 762.90 g/mol, XLogP of 8.09, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158043492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).