(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C16H23N5O2 — CID 129328537

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCCN1CCN(C(=O)c2c(C)noc2C)C[C@H]1c1nccn1C
InChIInChI=1S/C16H23N5O2/c1-5-20-8-9-21(10-13(20)15-17-6-7-19(15)4)16(22)14-11(2)18-23-12(14)3/h6-7,13H,5,8-10H2,1-4H3/t13-/m0/s1
InChIKeyBOUFGUDNXWQIIC-ZDUSSCGKSA-N
MW317.39 g/mol
LogP1.54
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 129328537) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID129328537
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCCN1CCN(C(=O)c2c(C)noc2C)C[C@H]1c1nccn1C
InChIInChI=1S/C16H23N5O2/c1-5-20-8-9-21(10-13(20)15-17-6-7-19(15)4)16(22)14-11(2)18-23-12(14)3/h6-7,13H,5,8-10H2,1-4H3/t13-/m0/s1
InChIKeyBOUFGUDNXWQIIC-ZDUSSCGKSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129340807
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
CID 128997527
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 129007005
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 128995946

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 129328537) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is CCN1CCN(C(=O)c2c(C)noc2C)C[C@H]1c1nccn1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is BOUFGUDNXWQIIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-20-8-9-21(10-13(20)15-17-6-7-19(15)4)16(22)14-11(2)18-23-12(14)3/h6-7,13H,5,8-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129328537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).