3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one

C20H21N3O3 — CID 53067148

IUPAC3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21
InChIInChI=1S/C20H21N3O3/c1-2-23-17-14-15(8-9-18(17)26-20(23)25)19(24)22-12-10-21(11-13-22)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3
InChIKeyVWSQBVCOFDZQHE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.58
Rot. Bonds3

About 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one

3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one (PubChem CID 53067148) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
PubChem CID53067148
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21
InChIInChI=1S/C20H21N3O3/c1-2-23-17-14-15(8-9-18(17)26-20(23)25)19(24)22-12-10-21(11-13-22)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3
InChIKeyVWSQBVCOFDZQHE-UHFFFAOYSA-N
XLogP2.58
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 46329741
2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid
CID 20956124
ethyl 1-(3-benzyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 20955907
5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186637
3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
1-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)cyclobutane-1-carboxylic acid
CID 117406858
2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 82062931
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one (CID 53067148) is 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one is CCn1c(=O)oc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21.
What is the InChIKey of 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one?
The InChIKey is VWSQBVCOFDZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-23-17-14-15(8-9-18(17)26-20(23)25)19(24)22-12-10-21(11-13-22)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one?
3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 53067148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).