2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one

C18H16N2O3 — CID 145487557

IUPAC2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one
SMILESO=C(CNCc1ccccc1)n1oc(=O)cc1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-17(13-19-12-14-7-3-1-4-8-14)20-16(11-18(22)23-20)15-9-5-2-6-10-15/h1-11,19H,12-13H2
InChIKeyXGCSKJWCULLGCQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one

2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one (PubChem CID 145487557) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one
PubChem CID145487557
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one
SMILESO=C(CNCc1ccccc1)n1oc(=O)cc1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-17(13-19-12-14-7-3-1-4-8-14)20-16(11-18(22)23-20)15-9-5-2-6-10-15/h1-11,19H,12-13H2
InChIKeyXGCSKJWCULLGCQ-UHFFFAOYSA-N
XLogP2.54
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one (CID 145487557) is 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one is O=C(CNCc1ccccc1)n1oc(=O)cc1-c1ccccc1.
What is the InChIKey of 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is XGCSKJWCULLGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(13-19-12-14-7-3-1-4-8-14)20-16(11-18(22)23-20)15-9-5-2-6-10-15/h1-11,19H,12-13H2.
What are the key properties of 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one?
2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 308.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 145487557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).