5-amino-4-benzoyl-1,2-oxazol-3-one

C10H8N2O3 — CID 174251259

IUPAC5-amino-4-benzoyl-1,2-oxazol-3-one
SMILESNc1o[nH]c(=O)c1C(=O)c1ccccc1
InChIInChI=1S/C10H8N2O3/c11-9-7(10(14)12-15-9)8(13)6-4-2-1-3-5-6/h1-5H,11H2,(H,12,14)
InChIKeyNLFURVYVUOZGKP-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.78
Rot. Bonds2

About 5-amino-4-benzoyl-1,2-oxazol-3-one

5-amino-4-benzoyl-1,2-oxazol-3-one (PubChem CID 174251259) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-amino-4-benzoyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-amino-4-benzoyl-1,2-oxazol-3-one
PubChem CID174251259
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-amino-4-benzoyl-1,2-oxazol-3-one
SMILESNc1o[nH]c(=O)c1C(=O)c1ccccc1
InChIInChI=1S/C10H8N2O3/c11-9-7(10(14)12-15-9)8(13)6-4-2-1-3-5-6/h1-5H,11H2,(H,12,14)
InChIKeyNLFURVYVUOZGKP-UHFFFAOYSA-N
XLogP0.78
TPSA89.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diphenylmethanone
CID 3102
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CID 11737142
diphenylmethanone;gold
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cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
(4-aminophenyl)-phenylmethanone
CID 14346
diphenylmethanone;4-fluoroaniline
CID 174706224
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
aminophosphonous acid;diphenylmethanone
CID 70010429

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-benzoyl-1,2-oxazol-3-one?
The IUPAC name of 5-amino-4-benzoyl-1,2-oxazol-3-one (CID 174251259) is 5-amino-4-benzoyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-amino-4-benzoyl-1,2-oxazol-3-one?
The canonical SMILES for 5-amino-4-benzoyl-1,2-oxazol-3-one is Nc1o[nH]c(=O)c1C(=O)c1ccccc1.
What is the InChIKey of 5-amino-4-benzoyl-1,2-oxazol-3-one?
The InChIKey is NLFURVYVUOZGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-9-7(10(14)12-15-9)8(13)6-4-2-1-3-5-6/h1-5H,11H2,(H,12,14).
What are the key properties of 5-amino-4-benzoyl-1,2-oxazol-3-one?
5-amino-4-benzoyl-1,2-oxazol-3-one has a molecular weight of 204.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-benzoyl-1,2-oxazol-3-one is sourced from PubChem (CID 174251259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).