benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate

C21H20N2O4 — CID 33283682

IUPACbenzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C21H20N2O4/c1-15-18(23-21(27-15)17-10-6-3-7-11-17)12-19(24)22-13-20(25)26-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,24)
InChIKeyMQADWBOJMNYXHF-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.05
Rot. Bonds7

About benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate

benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate (PubChem CID 33283682) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
PubChem CID33283682
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namebenzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C21H20N2O4/c1-15-18(23-21(27-15)17-10-6-3-7-11-17)12-19(24)22-13-20(25)26-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,24)
InChIKeyMQADWBOJMNYXHF-UHFFFAOYSA-N
XLogP3.05
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 16589199
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
CID 46552527
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 16589137
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate (CID 33283682) is benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate is Cc1oc(-c2ccccc2)nc1CC(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate?
The InChIKey is MQADWBOJMNYXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-15-18(23-21(27-15)17-10-6-3-7-11-17)12-19(24)22-13-20(25)26-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,24).
What are the key properties of benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate?
benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate has a molecular weight of 364.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate is sourced from PubChem (CID 33283682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).