(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide

C17H22N4O2 — CID 29435317

IUPAC(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESCc1cc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)on1
InChIInChI=1S/C17H22N4O2/c1-13-11-15(23-19-13)12-20-7-9-21(10-8-20)16(17(18)22)14-5-3-2-4-6-14/h2-6,11,16H,7-10,12H2,1H3,(H2,18,22)/t16-/m1/s1
InChIKeySJMQXJMTIOTSNI-MRXNPFEDSA-N
MW314.39 g/mol
LogP1.33
Rot. Bonds5

About (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide

(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 29435317) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID29435317
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESCc1cc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)on1
InChIInChI=1S/C17H22N4O2/c1-13-11-15(23-19-13)12-20-7-9-21(10-8-20)16(17(18)22)14-5-3-2-4-6-14/h2-6,11,16H,7-10,12H2,1H3,(H2,18,22)/t16-/m1/s1
InChIKeySJMQXJMTIOTSNI-MRXNPFEDSA-N
XLogP1.33
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(ethylcarbamoyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 30152167
(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 30643901
N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 46653776
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 94651558
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
(2R)-2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 79024601
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46684613
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95140275

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide (CID 29435317) is (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide is Cc1cc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)on1.
What is the InChIKey of (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is SJMQXJMTIOTSNI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-11-15(23-19-13)12-20-7-9-21(10-8-20)16(17(18)22)14-5-3-2-4-6-14/h2-6,11,16H,7-10,12H2,1H3,(H2,18,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 29435317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).