(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate

C24H20FN3O7 — CID 50794013

IUPAC(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C24H20FN3O7/c1-14-9-21-26-17(11-23(30)28(21)35-14)12-34-24(31)15-3-8-20(32-2)19(10-15)27-22(29)13-33-18-6-4-16(25)5-7-18/h3-11H,12-13H2,1-2H3,(H,27,29)
InChIKeyRRXLHBZXZTZMHP-UHFFFAOYSA-N
MW481.44 g/mol
LogP3.12
Rot. Bonds8

About (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate (PubChem CID 50794013) has the molecular formula C24H20FN3O7 and a molecular weight of 481.44 g/mol. Its IUPAC name is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate.

Molecular Properties

Compound Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate
PubChem CID50794013
Molecular FormulaC24H20FN3O7
Molecular Weight481.44 g/mol
Exact Mass481.13
IUPAC Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C24H20FN3O7/c1-14-9-21-26-17(11-23(30)28(21)35-14)12-34-24(31)15-3-8-20(32-2)19(10-15)27-22(29)13-33-18-6-4-16(25)5-7-18/h3-11H,12-13H2,1-2H3,(H,27,29)
InChIKeyRRXLHBZXZTZMHP-UHFFFAOYSA-N
XLogP3.12
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-methoxybenzoate
CID 50794105
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 50794082
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate
CID 50794028
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[(4-fluorobenzoyl)amino]-4-methylbenzoate
CID 50794089
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[(2-methoxybenzoyl)amino]-4-methylbenzoate
CID 50794104
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 46343592
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methyl-3-(pentanoylamino)benzoate
CID 50794008
2-(3,4-dimethylphenoxy)-N-[4-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
CID 50806044
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate
CID 46343601
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxyacetamide
CID 20874382
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[(3-chloro-4-fluorobenzoyl)amino]-4-methylbenzoate
CID 50794042
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 45106924

Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate?
The IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate (CID 50794013) is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate.
What is the SMILES notation for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate?
The canonical SMILES for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate is COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)COc1ccc(F)cc1.
What is the InChIKey of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate?
The InChIKey is RRXLHBZXZTZMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O7/c1-14-9-21-26-17(11-23(30)28(21)35-14)12-34-24(31)15-3-8-20(32-2)19(10-15)27-22(29)13-33-18-6-4-16(25)5-7-18/h3-11H,12-13H2,1-2H3,(H,27,29).
What are the key properties of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate?
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate has a molecular weight of 481.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate is sourced from PubChem (CID 50794013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).