ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate

C19H25FN2O3 — CID 52806173

IUPACethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(F)cc1)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C19H25FN2O3/c1-5-24-18(23)13-22(11-14-6-8-15(20)9-7-14)12-17-21-10-16(25-17)19(2,3)4/h6-10H,5,11-13H2,1-4H3
InChIKeyLNNOGDYQQZLQSD-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.68
Rot. Bonds7

About ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate

ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate (PubChem CID 52806173) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate
PubChem CID52806173
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Nameethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(F)cc1)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C19H25FN2O3/c1-5-24-18(23)13-22(11-14-6-8-15(20)9-7-14)12-17-21-10-16(25-17)19(2,3)4/h6-10H,5,11-13H2,1-4H3
InChIKeyLNNOGDYQQZLQSD-UHFFFAOYSA-N
XLogP3.68
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 52586784
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine
CID 52624943
3-Fluoro-4-[[(5-methyl-1,3-oxazol-2-yl)methyl-(1-methylpyrrolidin-3-yl)amino]methyl]benzonitrile
CID 71927235
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 71928343
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928366
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928368
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylaniline
CID 72107248
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline
CID 52877914
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 53579650
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-phenylcyclopropan-1-amine
CID 53588214
Methyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-(2,5-difluorophenyl)acetate
CID 53589328
5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
CID 71848138

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate (CID 52806173) is ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate is CCOC(=O)CN(Cc1ccc(F)cc1)Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate?
The InChIKey is LNNOGDYQQZLQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-5-24-18(23)13-22(11-14-6-8-15(20)9-7-14)12-17-21-10-16(25-17)19(2,3)4/h6-10H,5,11-13H2,1-4H3.
What are the key properties of ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate?
ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate has a molecular weight of 348.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-[(4-fluorophenyl)methyl]amino]acetate is sourced from PubChem (CID 52806173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).