N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide

C18H12N4O3 — CID 135493095

IUPACN-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)oc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C18H12N4O3/c23-15(11-7-3-1-4-8-11)21-18-20-14-13(16(24)22-18)25-17(19-14)12-9-5-2-6-10-12/h1-10H,(H2,20,21,22,23,24)
InChIKeyCLJNJWYCLWWQCK-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.83
Rot. Bonds3

About N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide

N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide (PubChem CID 135493095) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide
PubChem CID135493095
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC NameN-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)oc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C18H12N4O3/c23-15(11-7-3-1-4-8-11)21-18-20-14-13(16(24)22-18)25-17(19-14)12-9-5-2-6-10-12/h1-10H,(H2,20,21,22,23,24)
InChIKeyCLJNJWYCLWWQCK-UHFFFAOYSA-N
XLogP2.83
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
5-benzamido-2-phenyl-1,3-oxazole-4-carboxamide
CID 90949372
N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide
CID 135725014
4-phenyl-N-(4-phenyl-1H-benzimidazol-2-yl)benzamide
CID 21449966
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 10400687
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
CID 131843137
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 67153787
N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide
CID 177417109
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
CID 71579986
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide
CID 810233

Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide?
The IUPAC name of N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide (CID 135493095) is N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide?
The canonical SMILES for N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide is O=C(Nc1nc2nc(-c3ccccc3)oc2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide?
The InChIKey is CLJNJWYCLWWQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-15(11-7-3-1-4-8-11)21-18-20-14-13(16(24)22-18)25-17(19-14)12-9-5-2-6-10-12/h1-10H,(H2,20,21,22,23,24).
What are the key properties of N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide?
N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide has a molecular weight of 332.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-2-phenyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 135493095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).