(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide

C15H28N4O2+2 — CID 8994340

IUPAC(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide
SMILESCc1cc(C[NH+]2CC[NH+]([C@@H](C)C(=O)NC(C)C)CC2)no1
InChIInChI=1S/C15H26N4O2/c1-11(2)16-15(20)13(4)19-7-5-18(6-8-19)10-14-9-12(3)21-17-14/h9,11,13H,5-8,10H2,1-4H3,(H,16,20)/p+2/t13-/m0/s1
InChIKeyOSLDWXRHDHWLLS-ZDUSSCGKSA-P
MW296.42 g/mol
LogP-1.82
Rot. Bonds5

About (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide

(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide (PubChem CID 8994340) has the molecular formula C15H28N4O2+2 and a molecular weight of 296.42 g/mol. Its IUPAC name is (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide
PubChem CID8994340
Molecular FormulaC15H28N4O2+2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide
SMILESCc1cc(C[NH+]2CC[NH+]([C@@H](C)C(=O)NC(C)C)CC2)no1
InChIInChI=1S/C15H26N4O2/c1-11(2)16-15(20)13(4)19-7-5-18(6-8-19)10-14-9-12(3)21-17-14/h9,11,13H,5-8,10H2,1-4H3,(H,16,20)/p+2/t13-/m0/s1
InChIKeyOSLDWXRHDHWLLS-ZDUSSCGKSA-P
XLogP-1.82
TPSA64.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 8994056
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide
CID 8994136
(2R)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8994151
(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide
CID 9348840
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994254
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8994283
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 8993872
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993891
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide
CID 9459783
N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994410
N-(4-tert-butylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993924

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide (CID 8994340) is (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide is Cc1cc(C[NH+]2CC[NH+]([C@@H](C)C(=O)NC(C)C)CC2)no1.
What is the InChIKey of (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is OSLDWXRHDHWLLS-ZDUSSCGKSA-P. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)16-15(20)13(4)19-7-5-18(6-8-19)10-14-9-12(3)21-17-14/h9,11,13H,5-8,10H2,1-4H3,(H,16,20)/p+2/t13-/m0/s1.
What are the key properties of (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide?
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 296.42 g/mol, XLogP of -1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 8994340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).