(3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one

C13H13N3O4 — CID 95703001

IUPAC(3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H13N3O4/c1-8-12(17)14-4-5-16(8)13(18)9-7-11(20-15-9)10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,14,17)/t8-/m1/s1
InChIKeyUMHAMEIQNCMCEL-MRVPVSSYSA-N
MW275.26 g/mol
LogP0.90
Rot. Bonds2

About (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one

(3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one (PubChem CID 95703001) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one
PubChem CID95703001
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name(3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H13N3O4/c1-8-12(17)14-4-5-16(8)13(18)9-7-11(20-15-9)10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,14,17)/t8-/m1/s1
InChIKeyUMHAMEIQNCMCEL-MRVPVSSYSA-N
XLogP0.90
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one
CID 126767001
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856579
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
CID 124620944
5-(furan-2-yl)-N-[(3R)-2-oxopiperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 94363969
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364
3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 63090398
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one (CID 95703001) is (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one is C[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one?
The InChIKey is UMHAMEIQNCMCEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8-12(17)14-4-5-16(8)13(18)9-7-11(20-15-9)10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,14,17)/t8-/m1/s1.
What are the key properties of (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one?
(3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one has a molecular weight of 275.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 95703001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).