5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole

C16H25N5O — CID 124726013

IUPAC5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCCn1ccnc1CN1CCN(Cc2cc(C)no2)C[C@H]1C
InChIInChI=1S/C16H25N5O/c1-4-20-6-5-17-16(20)12-21-8-7-19(10-14(21)3)11-15-9-13(2)18-22-15/h5-6,9,14H,4,7-8,10-12H2,1-3H3/t14-/m1/s1
InChIKeyBPGJMLQZQQTCRD-CQSZACIVSA-N
MW303.41 g/mol
LogP1.91
Rot. Bonds5

About 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole

5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 124726013) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID124726013
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCCn1ccnc1CN1CCN(Cc2cc(C)no2)C[C@H]1C
InChIInChI=1S/C16H25N5O/c1-4-20-6-5-17-16(20)12-21-8-7-19(10-14(21)3)11-15-9-13(2)18-22-15/h5-6,9,14H,4,7-8,10-12H2,1-3H3/t14-/m1/s1
InChIKeyBPGJMLQZQQTCRD-CQSZACIVSA-N
XLogP1.91
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole with MolForge

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Related Compounds

2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 95766414
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 124840308
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790
5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95298580
4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 154747934
1-[4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 154798166
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 98761330
2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 154747883
N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222849
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 124726013) is 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole is CCn1ccnc1CN1CCN(Cc2cc(C)no2)C[C@H]1C.
What is the InChIKey of 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is BPGJMLQZQQTCRD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-20-6-5-17-16(20)12-21-8-7-19(10-14(21)3)11-15-9-13(2)18-22-15/h5-6,9,14H,4,7-8,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 303.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 124726013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).