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

C20H21N3O5 — CID 20953209

IUPAC(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate
SMILESCCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2oc(C)cc2n1
InChIInChI=1S/C20H21N3O5/c1-3-4-9-18(24)22-16-8-6-5-7-15(16)20(26)27-12-14-11-19(25)23-17(21-14)10-13(2)28-23/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,24)
InChIKeyRKVQVWRDEOAENY-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.08
Rot. Bonds7

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

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate (PubChem CID 20953209) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate.

Molecular Properties

Compound Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate
PubChem CID20953209
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate
SMILESCCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2oc(C)cc2n1
InChIInChI=1S/C20H21N3O5/c1-3-4-9-18(24)22-16-8-6-5-7-15(16)20(26)27-12-14-11-19(25)23-17(21-14)10-13(2)28-23/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,24)
InChIKeyRKVQVWRDEOAENY-UHFFFAOYSA-N
XLogP3.08
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide
CID 50744304
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methyl-3-(pentanoylamino)benzoate
CID 50794008
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[(2-bromobenzoyl)amino]-2-methylbenzoate
CID 50794165
(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-[(4-chlorobenzoyl)amino]-2-methylbenzoate
CID 50794050
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 3-[(4-bromobenzoyl)amino]-2-methylbenzoate
CID 50794179
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-(naphthalene-1-carbonylamino)benzoate
CID 46343598
(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-[(2-methoxybenzoyl)amino]-4-methylbenzoate
CID 50794104
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-phenylbutanoate
CID 20946594
(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

Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate?
The IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate (CID 20953209) is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate.
What is the SMILES notation for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate?
The canonical SMILES for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate is CCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2oc(C)cc2n1.
What is the InChIKey of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate?
The InChIKey is RKVQVWRDEOAENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-3-4-9-18(24)22-16-8-6-5-7-15(16)20(26)27-12-14-11-19(25)23-17(21-14)10-13(2)28-23/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,24).
What are the key properties of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate?
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate has a molecular weight of 383.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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 2-(pentanoylamino)benzoate is sourced from PubChem (CID 20953209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).