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

C24H21N3O6 — CID 50794028

IUPAC(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H21N3O6/c1-14-4-6-16(7-5-14)23(29)26-19-11-17(8-9-20(19)31-3)24(30)32-13-18-12-22(28)27-21(25-18)10-15(2)33-27/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyQZLVHZQZJKHDJS-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.52
Rot. Bonds6

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

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate (PubChem CID 50794028) 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-methoxy-3-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate
PubChem CID50794028
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-methoxy-3-[(4-methylbenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H21N3O6/c1-14-4-6-16(7-5-14)23(29)26-19-11-17(8-9-20(19)31-3)24(30)32-13-18-12-22(28)27-21(25-18)10-15(2)33-27/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyQZLVHZQZJKHDJS-UHFFFAOYSA-N
XLogP3.52
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.52
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 3-[(2-methoxybenzoyl)amino]-4-methylbenzoate
CID 50794104
(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-(4-fluorophenoxy)acetyl]amino]-4-methoxybenzoate
CID 50794013
(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 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-[(4-methoxybenzoyl)amino]benzoate
CID 46343592
4-methyl-N-[4-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50805891
N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-methylbenzamide
CID 50805952
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 45106924
(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 3-[(3-chloro-4-fluorobenzoyl)amino]-4-methylbenzoate
CID 50794042
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-ethoxybenzoyl)amino]benzoate
CID 46343601

Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate (CID 50794028) is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate is COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1ccc(C)cc1.
What is the InChIKey of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is QZLVHZQZJKHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c1-14-4-6-16(7-5-14)23(29)26-19-11-17(8-9-20(19)31-3)24(30)32-13-18-12-22(28)27-21(25-18)10-15(2)33-27/h4-12H,13H2,1-3H3,(H,26,29).
What are the key properties of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate?
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 447.45 g/mol, XLogP of 3.52, 6 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-methoxy-3-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 50794028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).