3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one

C19H19N3O3 — CID 155901260

IUPAC3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(C(=O)N3CCNCC3c3ccccc3)cc21
InChIInChI=1S/C19H19N3O3/c1-21-15-11-14(7-8-17(15)25-19(21)24)18(23)22-10-9-20-12-16(22)13-5-3-2-4-6-13/h2-8,11,16,20H,9-10,12H2,1H3
InChIKeyWPTLLTBUUQGBFF-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.92
Rot. Bonds2

About 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one

3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one (PubChem CID 155901260) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
PubChem CID155901260
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(C(=O)N3CCNCC3c3ccccc3)cc21
InChIInChI=1S/C19H19N3O3/c1-21-15-11-14(7-8-17(15)25-19(21)24)18(23)22-10-9-20-12-16(22)13-5-3-2-4-6-13/h2-8,11,16,20H,9-10,12H2,1H3
InChIKeyWPTLLTBUUQGBFF-UHFFFAOYSA-N
XLogP1.92
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(2-methylpyrazol-3-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124995782
3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
(3-methylphenyl)-(2-phenyl-1,4-diazepan-1-yl)methanone
CID 82251312
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479
6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
CID 124948429

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one (CID 155901260) is 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(C(=O)N3CCNCC3c3ccccc3)cc21.
What is the InChIKey of 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one?
The InChIKey is WPTLLTBUUQGBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21-15-11-14(7-8-17(15)25-19(21)24)18(23)22-10-9-20-12-16(22)13-5-3-2-4-6-13/h2-8,11,16,20H,9-10,12H2,1H3.
What are the key properties of 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one?
3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 155901260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).