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

C21H15ClFN3O4 — CID 50805905

IUPACN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide
SMILESCc1cc2nc(COc3ccc(Cl)cc3NC(=O)c3cccc(F)c3)cc(=O)n2o1
InChIInChI=1S/C21H15ClFN3O4/c1-12-7-19-24-16(10-20(27)26(19)30-12)11-29-18-6-5-14(22)9-17(18)25-21(28)13-3-2-4-15(23)8-13/h2-10H,11H2,1H3,(H,25,28)
InChIKeyIPGXAIPBVYUCGU-UHFFFAOYSA-N
MW427.82 g/mol
LogP4.22
Rot. Bonds5

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

N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide (PubChem CID 50805905) has the molecular formula C21H15ClFN3O4 and a molecular weight of 427.82 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]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide
PubChem CID50805905
Molecular FormulaC21H15ClFN3O4
Molecular Weight427.82 g/mol
Exact Mass427.07
IUPAC NameN-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide
SMILESCc1cc2nc(COc3ccc(Cl)cc3NC(=O)c3cccc(F)c3)cc(=O)n2o1
InChIInChI=1S/C21H15ClFN3O4/c1-12-7-19-24-16(10-20(27)26(19)30-12)11-29-18-6-5-14(22)9-17(18)25-21(28)13-3-2-4-15(23)8-13/h2-10H,11H2,1H3,(H,25,28)
InChIKeyIPGXAIPBVYUCGU-UHFFFAOYSA-N
XLogP4.22
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-4-fluorobenzamide
CID 967177
N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide
CID 2712145
N-(5-Chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 306350
4(3H)-Quinazolinone, 3-(5-chloro-2-methoxyphenyl)-2-methyl-, hydrochloride
CID 63713
2-Fluoro-N-[2-({7-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]benzamide
CID 16030415
N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide
CID 2455908
2-Chloro-N-[2-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methoxy)phenyl]benzamide
CID 16009478
4-Fluoro-N-[2-({7-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]benzamide
CID 16030405
Ethyl 4-[[4-chloro-2-[(4-fluorobenzoyl)amino]phenoxy]methyl]benzoate
CID 177657009
N-(5-Chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 315812
N-(5-chloro-2-methoxyphenyl)-3-fluorobenzamide
CID 877469
N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide
CID 3651416

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]-3-fluorobenzamide?
The IUPAC name of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide (CID 50805905) is N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide.
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]-3-fluorobenzamide?
The canonical SMILES for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide is Cc1cc2nc(COc3ccc(Cl)cc3NC(=O)c3cccc(F)c3)cc(=O)n2o1.
What is the InChIKey of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide?
The InChIKey is IPGXAIPBVYUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O4/c1-12-7-19-24-16(10-20(27)26(19)30-12)11-29-18-6-5-14(22)9-17(18)25-21(28)13-3-2-4-15(23)8-13/h2-10H,11H2,1H3,(H,25,28).
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]-3-fluorobenzamide?
N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-3-fluorobenzamide has a molecular weight of 427.82 g/mol, XLogP of 4.22, 5 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]-3-fluorobenzamide is sourced from PubChem (CID 50805905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).