2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

C19H25ClN4O2 — CID 8636472

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1cc(CN2CCN(C(=O)CN[C@@H](C)c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C19H25ClN4O2/c1-14-11-18(22-26-14)13-23-7-9-24(10-8-23)19(25)12-21-15(2)16-3-5-17(20)6-4-16/h3-6,11,15,21H,7-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyPPDPHZOPSLEMEC-HNNXBMFYSA-N
MW376.89 g/mol
LogP2.63
Rot. Bonds6

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 8636472) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
PubChem CID8636472
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1cc(CN2CCN(C(=O)CN[C@@H](C)c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C19H25ClN4O2/c1-14-11-18(22-26-14)13-23-7-9-24(10-8-23)19(25)12-21-15(2)16-3-5-17(20)6-4-16/h3-6,11,15,21H,7-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyPPDPHZOPSLEMEC-HNNXBMFYSA-N
XLogP2.63
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636098
2-[4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636105
3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119835222
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8994154
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 87006494
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8636945
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pentan-1-one
CID 110422916
1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109002094
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110610868
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237
3-amino-2-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119835184
1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110608727

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone (CID 8636472) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone is Cc1cc(CN2CCN(C(=O)CN[C@@H](C)c3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is PPDPHZOPSLEMEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-14-11-18(22-26-14)13-23-7-9-24(10-8-23)19(25)12-21-15(2)16-3-5-17(20)6-4-16/h3-6,11,15,21H,7-10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 376.89 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 8636472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).