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

C16H23N5O2 — CID 129483592

IUPAC[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCc1noc([C@@H]2CN(C(=O)c3cccn3C(C)C)CCN2C)n1
InChIInChI=1S/C16H23N5O2/c1-11(2)21-7-5-6-13(21)16(22)20-9-8-19(4)14(10-20)15-17-12(3)18-23-15/h5-7,11,14H,8-10H2,1-4H3/t14-/m0/s1
InChIKeyPRTPUKZNXAXORB-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.89
Rot. Bonds3

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

[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone (PubChem CID 129483592) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
PubChem CID129483592
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCc1noc([C@@H]2CN(C(=O)c3cccn3C(C)C)CCN2C)n1
InChIInChI=1S/C16H23N5O2/c1-11(2)21-7-5-6-13(21)16(22)20-9-8-19(4)14(10-20)15-17-12(3)18-23-15/h5-7,11,14H,8-10H2,1-4H3/t14-/m0/s1
InChIKeyPRTPUKZNXAXORB-AWEZNQCLSA-N
XLogP1.89
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(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)-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
(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482466
(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631
[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346901
(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
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580
(3,4-dimethoxyphenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129346897
(3,5-difluoro-2-pyridinyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484206
5-methyl-4-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]furan-2-carbonitrile
CID 129484260

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The IUPAC name of [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone (CID 129483592) is [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone.
What is the SMILES notation for [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The canonical SMILES for [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone is Cc1noc([C@@H]2CN(C(=O)c3cccn3C(C)C)CCN2C)n1.
What is the InChIKey of [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The InChIKey is PRTPUKZNXAXORB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11(2)21-7-5-6-13(21)16(22)20-9-8-19(4)14(10-20)15-17-12(3)18-23-15/h5-7,11,14H,8-10H2,1-4H3/t14-/m0/s1.
What are the key properties of [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 129483592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).