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

C20H22ClN3O4 — CID 50806019

IUPACN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2oc(C)cc2n1
InChIInChI=1S/C20H22ClN3O4/c1-4-13(5-2)20(26)23-16-9-14(21)6-7-17(16)27-11-15-10-19(25)24-18(22-15)8-12(3)28-24/h6-10,13H,4-5,11H2,1-3H3,(H,23,26)
InChIKeyJEIPSSDOVHXHFQ-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.20
Rot. Bonds7

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

N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide (PubChem CID 50806019) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide
PubChem CID50806019
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2oc(C)cc2n1
InChIInChI=1S/C20H22ClN3O4/c1-4-13(5-2)20(26)23-16-9-14(21)6-7-17(16)27-11-15-10-19(25)24-18(22-15)8-12(3)28-24/h6-10,13H,4-5,11H2,1-3H3,(H,23,26)
InChIKeyJEIPSSDOVHXHFQ-UHFFFAOYSA-N
XLogP4.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-8-methyl-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 135410456
N-[5-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-3-fluorobenzamide
CID 50805905
N-[5-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-4-fluorobenzamide
CID 50805920
N-[4-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-3-fluoro-4-methylbenzamide
CID 50764142
3-Chloro-4-fluoro-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]benzamide
CID 50764238
3-Chloro-4-fluoro-N-[2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]benzamide
CID 50764253
N-[5-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-2-fluorobenzamide
CID 50806038
N-[5-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 50806082
N-[5-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-2-(4-fluorophenoxy)acetamide
CID 50806099
N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropanecarboxamide
CID 50764129
N-[5-Methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]cyclopropanecarboxamide
CID 50764150
N-[4-Chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methoxy)phenyl]-3-cyclopentylpropanamide
CID 50764156

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide?
The IUPAC name of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide (CID 50806019) is N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2oc(C)cc2n1.
What is the InChIKey of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide?
The InChIKey is JEIPSSDOVHXHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-4-13(5-2)20(26)23-16-9-14(21)6-7-17(16)27-11-15-10-19(25)24-18(22-15)8-12(3)28-24/h6-10,13H,4-5,11H2,1-3H3,(H,23,26).
What are the key properties of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide?
N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide has a molecular weight of 403.87 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-ethylbutanamide is sourced from PubChem (CID 50806019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).