tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate

C19H18F2N2O5 — CID 135304341

IUPACtert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21
InChIInChI=1S/C19H18F2N2O5/c1-19(2,3)28-15(24)10-23-16-14(27-18(23)25)9-8-13(22-16)11-4-6-12(7-5-11)26-17(20)21/h4-9,17H,10H2,1-3H3
InChIKeyMZUOIURLPWJZGR-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.60
Rot. Bonds5

About tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate

tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate (PubChem CID 135304341) has the molecular formula C19H18F2N2O5 and a molecular weight of 392.36 g/mol. Its IUPAC name is tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
PubChem CID135304341
Molecular FormulaC19H18F2N2O5
Molecular Weight392.36 g/mol
Exact Mass392.12
IUPAC Nametert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21
InChIInChI=1S/C19H18F2N2O5/c1-19(2,3)28-15(24)10-23-16-14(27-18(23)25)9-8-13(22-16)11-4-6-12(7-5-11)26-17(20)21/h4-9,17H,10H2,1-3H3
InChIKeyMZUOIURLPWJZGR-UHFFFAOYSA-N
XLogP3.60
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate with MolForge

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Related Compounds

1-[6-Benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
CID 18182200
2-Benzyl-3-methoxymethyloxy-6-[(3r)-3-fluoro-2-pyrrolidinone-1-yl]pyridine
CID 21350203
(3S)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
CID 69760094
tert-butyl N-[(1S)-1-[4-[(3R)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]carbamate
CID 117680668
2-[5-[2-Methyl-4-(trifluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
CID 135304336
Tert-butyl 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoate
CID 135304337
3-(Methylsulfanylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 135304342
5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 135304343
2-[5-[4-(Difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
CID 135304345
Tert-butyl 2-[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
CID 135304348
2-[5-[5-Fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
CID 135304349
2-[2-Oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
CID 135304352

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate?
The IUPAC name of tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate (CID 135304341) is tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate.
What is the SMILES notation for tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate?
The canonical SMILES for tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate is CC(C)(C)OC(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21.
What is the InChIKey of tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate?
The InChIKey is MZUOIURLPWJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O5/c1-19(2,3)28-15(24)10-23-16-14(27-18(23)25)9-8-13(22-16)11-4-6-12(7-5-11)26-17(20)21/h4-9,17H,10H2,1-3H3.
What are the key properties of tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate?
tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate has a molecular weight of 392.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate is sourced from PubChem (CID 135304341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).