N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide

C18H14N2O3 — CID 21361002

IUPACN-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide
SMILESCc1cc(NC(=O)C(=O)c2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C18H14N2O3/c1-12-9-14(7-8-15(12)16-10-19-11-23-16)20-18(22)17(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,22)
InChIKeyXOBUYQSUTUBEOJ-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.47
Rot. Bonds4

About N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide

N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide (PubChem CID 21361002) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide
PubChem CID21361002
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide
SMILESCc1cc(NC(=O)C(=O)c2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C18H14N2O3/c1-12-9-14(7-8-15(12)16-10-19-11-23-16)20-18(22)17(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,22)
InChIKeyXOBUYQSUTUBEOJ-UHFFFAOYSA-N
XLogP3.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide
CID 20766530
N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]formamide
CID 142022966
1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea
CID 22986206
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
1-aminobutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 23546200
[(2R)-1-hydroxybutan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925007
1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343082
[3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate
CID 90973440
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-2-(2-chlorophenyl)acetamide
CID 148839325
2-(2-methyl-1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
CID 51119222

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide (CID 21361002) is N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide is Cc1cc(NC(=O)C(=O)c2ccccc2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide?
The InChIKey is XOBUYQSUTUBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-12-9-14(7-8-15(12)16-10-19-11-23-16)20-18(22)17(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,22).
What are the key properties of N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide?
N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide has a molecular weight of 306.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 21361002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).