[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone

C16H19N3O2 — CID 175719598

IUPAC[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone
SMILESC[C@H]1CN(C)CCN1C(=O)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C16H19N3O2/c1-12-11-18(2)9-10-19(12)16(20)14-5-3-13(4-6-14)15-7-8-17-21-15/h3-8,12H,9-11H2,1-2H3/t12-/m0/s1
InChIKeyJGLSMPDDQYHRIP-LBPRGKRZSA-N
MW285.35 g/mol
LogP2.12
Rot. Bonds2

About [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone

[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone (PubChem CID 175719598) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone
PubChem CID175719598
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone
SMILESC[C@H]1CN(C)CCN1C(=O)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C16H19N3O2/c1-12-11-18(2)9-10-19(12)16(20)14-5-3-13(4-6-14)15-7-8-17-21-15/h3-8,12H,9-11H2,1-2H3/t12-/m0/s1
InChIKeyJGLSMPDDQYHRIP-LBPRGKRZSA-N
XLogP2.12
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 97094095
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 157019570
[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 97094088
[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 97094124
(2,4-dimethylpiperazin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 71877224
[4-[5-(6-bromo-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
CID 154679720
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877338

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone?
The IUPAC name of [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone (CID 175719598) is [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone is C[C@H]1CN(C)CCN1C(=O)c1ccc(-c2ccno2)cc1.
What is the InChIKey of [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone?
The InChIKey is JGLSMPDDQYHRIP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-11-18(2)9-10-19(12)16(20)14-5-3-13(4-6-14)15-7-8-17-21-15/h3-8,12H,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone?
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone has a molecular weight of 285.35 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone is sourced from PubChem (CID 175719598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).