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

C15H17ClN4O3 — CID 129482975

IUPAC(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2ccoc2Cl)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C15H17ClN4O3/c1-19-5-6-20(15(21)10-4-7-22-12(10)16)8-11(19)14-17-13(18-23-14)9-2-3-9/h4,7,9,11H,2-3,5-6,8H2,1H3/t11-/m0/s1
InChIKeyFYJNBNHKRYINOZ-NSHDSACASA-N
MW336.78 g/mol
LogP2.32
Rot. Bonds3

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

(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone (PubChem CID 129482975) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
PubChem CID129482975
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2ccoc2Cl)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C15H17ClN4O3/c1-19-5-6-20(15(21)10-4-7-22-12(10)16)8-11(19)14-17-13(18-23-14)9-2-3-9/h4,7,9,11H,2-3,5-6,8H2,1H3/t11-/m0/s1
InChIKeyFYJNBNHKRYINOZ-NSHDSACASA-N
XLogP2.32
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482466
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129484364
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129483705
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 129483030
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 164638325
(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-3-(1-methylcyclopropyl)propan-1-one
CID 136565189
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide
CID 129344812
(3-chloro-2-fluorophenyl)-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 128981776
(4-chloro-2-fluorophenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484977
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone (CID 129482975) is (2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone is CN1CCN(C(=O)c2ccoc2Cl)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of (2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is FYJNBNHKRYINOZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-19-5-6-20(15(21)10-4-7-22-12(10)16)8-11(19)14-17-13(18-23-14)9-2-3-9/h4,7,9,11H,2-3,5-6,8H2,1H3/t11-/m0/s1.
What are the key properties of (2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone?
(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 336.78 g/mol, XLogP of 2.32, 3 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)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 129482975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).