(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

C13H15ClN4O3 — CID 129482466

IUPAC(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1noc([C@@H]2CN(C(=O)c3ccoc3Cl)CCN2C)n1
InChIInChI=1S/C13H15ClN4O3/c1-8-15-12(21-16-8)10-7-18(5-4-17(10)2)13(19)9-3-6-20-11(9)14/h3,6,10H,4-5,7H2,1-2H3/t10-/m0/s1
InChIKeyADCCQHLMNJWWAP-JTQLQIEISA-N
MW310.74 g/mol
LogP1.75
Rot. Bonds2

About (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 129482466) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID129482466
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1noc([C@@H]2CN(C(=O)c3ccoc3Cl)CCN2C)n1
InChIInChI=1S/C13H15ClN4O3/c1-8-15-12(21-16-8)10-7-18(5-4-17(10)2)13(19)9-3-6-20-11(9)14/h3,6,10H,4-5,7H2,1-2H3/t10-/m0/s1
InChIKeyADCCQHLMNJWWAP-JTQLQIEISA-N
XLogP1.75
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129482975
(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631
(4-chloro-2-fluorophenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484977
(3-chloro-2-fluorophenyl)-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 128981776
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129491549
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129483649
5-methyl-4-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]furan-2-carbonitrile
CID 129484260
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 129483592
(3,4-dimethoxyphenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129346897
[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 129491565
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129484364

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (CID 129482466) is (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is Cc1noc([C@@H]2CN(C(=O)c3ccoc3Cl)CCN2C)n1.
What is the InChIKey of (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is ADCCQHLMNJWWAP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-8-15-12(21-16-8)10-7-18(5-4-17(10)2)13(19)9-3-6-20-11(9)14/h3,6,10H,4-5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 310.74 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129482466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).