(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C17H26N6O2 — CID 95288126

IUPAC(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C17H26N6O2/c1-4-14(17(24)19-15-11-13(2)25-20-15)23-9-7-22(8-10-23)12-16-18-5-6-21(16)3/h5-6,11,14H,4,7-10,12H2,1-3H3,(H,19,20,24)/t14-/m0/s1
InChIKeyLYNWUTMJEGFQTE-AWEZNQCLSA-N
MW346.44 g/mol
LogP1.25
Rot. Bonds6

About (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 95288126) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID95288126
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C17H26N6O2/c1-4-14(17(24)19-15-11-13(2)25-20-15)23-9-7-22(8-10-23)12-16-18-5-6-21(16)3/h5-6,11,14H,4,7-10,12H2,1-3H3,(H,19,20,24)/t14-/m0/s1
InChIKeyLYNWUTMJEGFQTE-AWEZNQCLSA-N
XLogP1.25
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95284949
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butanamide
CID 47079050
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 32688103
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 47019529
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3R)-2-oxoazepan-3-yl]piperazin-1-yl]butanamide
CID 95785782
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47060155
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide
CID 43039481
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560998
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 100871755
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 97025158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 95288126) is (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2nccn2C)CC1.
What is the InChIKey of (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is LYNWUTMJEGFQTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-14(17(24)19-15-11-13(2)25-20-15)23-9-7-22(8-10-23)12-16-18-5-6-21(16)3/h5-6,11,14H,4,7-10,12H2,1-3H3,(H,19,20,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 346.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 95288126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).