furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone

C13H13N3O4 — CID 3822140

IUPACfuran-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCN2C(=O)c2ccco2)no1
InChIInChI=1S/C13H13N3O4/c1-9-8-10(14-20-9)12(17)15-5-3-6-16(15)13(18)11-4-2-7-19-11/h2,4,7-8H,3,5-6H2,1H3
InChIKeyBLNCQBXSWYFLFU-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.48
Rot. Bonds2

About furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone

furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone (PubChem CID 3822140) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
PubChem CID3822140
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Namefuran-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCN2C(=O)c2ccco2)no1
InChIInChI=1S/C13H13N3O4/c1-9-8-10(14-20-9)12(17)15-5-3-6-16(15)13(18)11-4-2-7-19-11/h2,4,7-8H,3,5-6H2,1H3
InChIKeyBLNCQBXSWYFLFU-UHFFFAOYSA-N
XLogP1.48
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 4990126
1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one
CID 3866618
[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 3716230
1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780728
2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide
CID 3742644
[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate
CID 3758692
N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide
CID 4669841
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110645725
N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4991946
furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone
CID 109353097
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109030150
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone (CID 3822140) is furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone is Cc1cc(C(=O)N2CCCN2C(=O)c2ccco2)no1.
What is the InChIKey of furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is BLNCQBXSWYFLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-9-8-10(14-20-9)12(17)15-5-3-6-16(15)13(18)11-4-2-7-19-11/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone?
furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 275.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 3822140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).