N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide

C19H21N3O4 — CID 50744304

IUPACN-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1OCc1cc(=O)n2oc(C)cc2n1
InChIInChI=1S/C19H21N3O4/c1-3-4-9-18(23)21-15-7-5-6-8-16(15)25-12-14-11-19(24)22-17(20-14)10-13(2)26-22/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,23)
InChIKeyOQSXSBMMIUXRNE-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.30
Rot. Bonds7

About N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide

N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide (PubChem CID 50744304) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide
PubChem CID50744304
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1OCc1cc(=O)n2oc(C)cc2n1
InChIInChI=1S/C19H21N3O4/c1-3-4-9-18(23)21-15-7-5-6-8-16(15)25-12-14-11-19(24)22-17(20-14)10-13(2)26-22/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,23)
InChIKeyOQSXSBMMIUXRNE-UHFFFAOYSA-N
XLogP3.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(pentanoylamino)benzoate
CID 20953209
2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide
CID 50744309
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 22580423
4-tert-butyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50744265
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methyl-3-(pentanoylamino)benzoate
CID 50794008
N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide
CID 50744324
N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 50806051
N-[5-ethylsulfonyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 50764395
2-(2,4-dimethylphenoxy)-N-[4-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
CID 50764136
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-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxyacetamide
CID 20874382
2-ethoxy-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50764193

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide?
The IUPAC name of N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide (CID 50744304) is N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide.
What is the SMILES notation for N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide?
The canonical SMILES for N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide is CCCCC(=O)Nc1ccccc1OCc1cc(=O)n2oc(C)cc2n1.
What is the InChIKey of N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide?
The InChIKey is OQSXSBMMIUXRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-4-9-18(23)21-15-7-5-6-8-16(15)25-12-14-11-19(24)22-17(20-14)10-13(2)26-22/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide?
N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide has a molecular weight of 355.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]pentanamide is sourced from PubChem (CID 50744304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).