7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C16H15N3O4 — CID 110358026

IUPAC7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccco1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C16H15N3O4/c20-15(13-5-2-10-22-13)19-8-6-18(7-9-19)12-4-1-3-11-14(12)23-16(21)17-11/h1-5,10H,6-9H2,(H,17,21)
InChIKeyUEWLINTUASYBNH-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.68
Rot. Bonds2

About 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110358026) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110358026
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccco1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C16H15N3O4/c20-15(13-5-2-10-22-13)19-8-6-18(7-9-19)12-4-1-3-11-14(12)23-16(21)17-11/h1-5,10H,6-9H2,(H,17,21)
InChIKeyUEWLINTUASYBNH-UHFFFAOYSA-N
XLogP1.68
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358018
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110355132
7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one
CID 15950607
6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
CID 5310020
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
azepan-1-yl(furan-2-yl)methanone
CID 5200992
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701048
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135448588

Frequently Asked Questions

What is the IUPAC name of 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110358026) is 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is O=C(c1ccco1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1.
What is the InChIKey of 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is UEWLINTUASYBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15(13-5-2-10-22-13)19-8-6-18(7-9-19)12-4-1-3-11-14(12)23-16(21)17-11/h1-5,10H,6-9H2,(H,17,21).
What are the key properties of 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 313.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110358026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).