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

C19H31N5O — CID 95298580

IUPAC5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESCCn1ccnc1CN1CCN(Cc2ncc(C(C)(C)C)o2)C[C@@H]1C
InChIInChI=1S/C19H31N5O/c1-6-23-8-7-20-17(23)13-24-10-9-22(12-15(24)2)14-18-21-11-16(25-18)19(3,4)5/h7-8,11,15H,6,9-10,12-14H2,1-5H3/t15-/m0/s1
InChIKeyMPSWEJRJVAMXSP-HNNXBMFYSA-N
MW345.49 g/mol
LogP2.89
Rot. Bonds5

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

5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 95298580) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
PubChem CID95298580
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESCCn1ccnc1CN1CCN(Cc2ncc(C(C)(C)C)o2)C[C@@H]1C
InChIInChI=1S/C19H31N5O/c1-6-23-8-7-20-17(23)13-24-10-9-22(12-15(24)2)14-18-21-11-16(25-18)19(3,4)5/h7-8,11,15H,6,9-10,12-14H2,1-5H3/t15-/m0/s1
InChIKeyMPSWEJRJVAMXSP-HNNXBMFYSA-N
XLogP2.89
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 124726013
(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
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
4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 154747934
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79868557
2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 95766414
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole (CID 95298580) is 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole is CCn1ccnc1CN1CCN(Cc2ncc(C(C)(C)C)o2)C[C@@H]1C.
What is the InChIKey of 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is MPSWEJRJVAMXSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-6-23-8-7-20-17(23)13-24-10-9-22(12-15(24)2)14-18-21-11-16(25-18)19(3,4)5/h7-8,11,15H,6,9-10,12-14H2,1-5H3/t15-/m0/s1.
What are the key properties of 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole?
5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 345.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95298580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).