(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate

C24H21N3O6 — CID 46343601

IUPAC(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1
InChIInChI=1S/C24H21N3O6/c1-3-31-20-10-6-16(7-11-20)23(29)26-18-8-4-17(5-9-18)24(30)32-14-19-13-22(28)27-21(25-19)12-15(2)33-27/h4-13H,3,14H2,1-2H3,(H,26,29)
InChIKeyXIGOOSRYPCIBKQ-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.60
Rot. Bonds7

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

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate (PubChem CID 46343601) has the molecular formula C24H21N3O6 and a molecular weight of 447.45 g/mol. Its IUPAC name is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate
PubChem CID46343601
Molecular FormulaC24H21N3O6
Molecular Weight447.45 g/mol
Exact Mass447.14
IUPAC Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1
InChIInChI=1S/C24H21N3O6/c1-3-31-20-10-6-16(7-11-20)23(29)26-18-8-4-17(5-9-18)24(30)32-14-19-13-22(28)27-21(25-19)12-15(2)33-27/h4-13H,3,14H2,1-2H3,(H,26,29)
InChIKeyXIGOOSRYPCIBKQ-UHFFFAOYSA-N
XLogP3.60
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(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 3-benzamidobenzoate
CID 46343602
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-(naphthalene-1-carbonylamino)benzoate
CID 46343598
2-ethoxy-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50764193
N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide
CID 50805922
3-chloro-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50744308
4-methoxy-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]phenyl]benzamide
CID 50798748
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[(4-fluorobenzoyl)amino]-4-methylbenzoate
CID 50794089
N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide
CID 50744324
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate
CID 50794028
1-(4-ethoxyphenyl)-3-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]phenyl]urea
CID 50798816
4-bromo-N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50764223

Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate?
The IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate (CID 46343601) is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate.
What is the SMILES notation for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate?
The canonical SMILES for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate is CCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1.
What is the InChIKey of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate?
The InChIKey is XIGOOSRYPCIBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c1-3-31-20-10-6-16(7-11-20)23(29)26-18-8-4-17(5-9-18)24(30)32-14-19-13-22(28)27-21(25-19)12-15(2)33-27/h4-13H,3,14H2,1-2H3,(H,26,29).
What are the key properties of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate?
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate has a molecular weight of 447.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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 4-[(4-ethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 46343601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).