3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one

C17H17N3O3 — CID 24644112

IUPAC3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one
SMILESCC(C)/N=c1\ccccn1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H17N3O3/c1-12(2)18-15-9-5-6-10-19(15)16(21)11-20-13-7-3-4-8-14(13)23-17(20)22/h3-10,12H,11H2,1-2H3/b18-15+
InChIKeyZRHLLGOTMYTOIR-OBGWFSINSA-N
MW311.34 g/mol
LogP2.05
Rot. Bonds3

About 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one

3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 24644112) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one
PubChem CID24644112
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one
SMILESCC(C)/N=c1\ccccn1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H17N3O3/c1-12(2)18-15-9-5-6-10-19(15)16(21)11-20-13-7-3-4-8-14(13)23-17(20)22/h3-10,12H,11H2,1-2H3/b18-15+
InChIKeyZRHLLGOTMYTOIR-OBGWFSINSA-N
XLogP2.05
TPSA69.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
CID 44721311
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2088423
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one (CID 24644112) is 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one is CC(C)/N=c1\ccccn1C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is ZRHLLGOTMYTOIR-OBGWFSINSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12(2)18-15-9-5-6-10-19(15)16(21)11-20-13-7-3-4-8-14(13)23-17(20)22/h3-10,12H,11H2,1-2H3/b18-15+.
What are the key properties of 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one?
3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 24644112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).