(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one

C13H21N3O2 — CID 124570591

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
SMILESCc1noc(C)c1[C@@H](C)C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C13H21N3O2/c1-8-7-14-5-6-16(8)13(17)9(2)12-10(3)15-18-11(12)4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyTXVNCXVXXBTTBC-RKDXNWHRSA-N
MW251.33 g/mol
LogP1.22
Rot. Bonds2

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one (PubChem CID 124570591) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
PubChem CID124570591
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
SMILESCc1noc(C)c1[C@@H](C)C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C13H21N3O2/c1-8-7-14-5-6-16(8)13(17)9(2)12-10(3)15-18-11(12)4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyTXVNCXVXXBTTBC-RKDXNWHRSA-N
XLogP1.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 124694132
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 125153746
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95329043
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124690967
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95296695
2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 172777636
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
(2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119471065
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841
2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]propan-1-one
CID 111472406
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one (CID 124570591) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one is Cc1noc(C)c1[C@@H](C)C(=O)N1CCNC[C@H]1C.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one?
The InChIKey is TXVNCXVXXBTTBC-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-7-14-5-6-16(8)13(17)9(2)12-10(3)15-18-11(12)4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 124570591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).