[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone

C17H19N3O3 — CID 110803826

IUPAC[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(c1ccc2ncoc2c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H19N3O3/c21-16(12-2-1-3-12)19-6-8-20(9-7-19)17(22)13-4-5-14-15(10-13)23-11-18-14/h4-5,10-12H,1-3,6-9H2
InChIKeyJXBBWNUUNPKHQJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.91
Rot. Bonds2

About [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone

[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone (PubChem CID 110803826) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone
PubChem CID110803826
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(c1ccc2ncoc2c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H19N3O3/c21-16(12-2-1-3-12)19-6-8-20(9-7-19)17(22)13-4-5-14-15(10-13)23-11-18-14/h4-5,10-12H,1-3,6-9H2
InChIKeyJXBBWNUUNPKHQJ-UHFFFAOYSA-N
XLogP1.91
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 110399395
1-(1,3-benzoxazole-6-carbonyl)piperidine-4-carboxamide
CID 110765057
2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
4-(1,3-benzoxazole-6-carbonyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813680
cyclopropyl-[4-(2-methyl-1,3-benzoxazole-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806533
4-(1,3-benzoxazole-6-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813679
ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate
CID 110765068
1,3-benzoxazol-6-yl-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110808019
cyclobutyl-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809302
1-[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802742
1-[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802576
6-[4-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110809384

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone (CID 110803826) is [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone is O=C(c1ccc2ncoc2c1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is JXBBWNUUNPKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(12-2-1-3-12)19-6-8-20(9-7-19)17(22)13-4-5-14-15(10-13)23-11-18-14/h4-5,10-12H,1-3,6-9H2.
What are the key properties of [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone?
[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 313.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 110803826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).