5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one

C18H21N3O4 — CID 110803928

IUPAC5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H21N3O4/c22-16(11-12-4-5-15-14(10-12)19-18(24)25-15)20-6-8-21(9-7-20)17(23)13-2-1-3-13/h4-5,10,13H,1-3,6-9,11H2,(H,19,24)
InChIKeyMHYBIGQBAZGWJI-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.13
Rot. Bonds3

About 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one

5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 110803928) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one
PubChem CID110803928
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H21N3O4/c22-16(11-12-4-5-15-14(10-12)19-18(24)25-15)20-6-8-21(9-7-20)17(23)13-2-1-3-13/h4-5,10,13H,1-3,6-9,11H2,(H,19,24)
InChIKeyMHYBIGQBAZGWJI-UHFFFAOYSA-N
XLogP1.13
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 110799951
5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one
CID 110773942
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110803856
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 110801707
6-[4-(cyclohexanecarbonyl)-1,4-diazepane-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110807060
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110786705
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one (CID 110803928) is 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one is O=C(Cc1ccc2oc(=O)[nH]c2c1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is MHYBIGQBAZGWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-16(11-12-4-5-15-14(10-12)19-18(24)25-15)20-6-8-21(9-7-20)17(23)13-2-1-3-13/h4-5,10,13H,1-3,6-9,11H2,(H,19,24).
What are the key properties of 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one?
5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 343.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110803928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).