[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone

C15H24N4O3 — CID 120782461

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)on1
InChIInChI=1S/C15H24N4O3/c1-11-8-13(22-17-11)10-18-4-6-19(7-5-18)15(20)14-3-2-12(9-16)21-14/h8,12,14H,2-7,9-10,16H2,1H3/t12-,14+/m1/s1
InChIKeyVCHHVDZPKAPJJK-OCCSQVGLSA-N
MW308.38 g/mol
LogP0.13
Rot. Bonds4

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 120782461) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID120782461
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)on1
InChIInChI=1S/C15H24N4O3/c1-11-8-13(22-17-11)10-18-4-6-19(7-5-18)15(20)14-3-2-12(9-16)21-14/h8,12,14H,2-7,9-10,16H2,1H3/t12-,14+/m1/s1
InChIKeyVCHHVDZPKAPJJK-OCCSQVGLSA-N
XLogP0.13
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 120800250
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 120797096
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
(3-aminocyclohexyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399287
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120797091
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
[5-(aminomethyl)oxolan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 169493694
(4R)-1-cyclopropyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 94017125
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 120798360
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
(2R)-2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 79024601
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119399338

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (CID 120782461) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1cc(CN2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)on1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is VCHHVDZPKAPJJK-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-8-13(22-17-11)10-18-4-6-19(7-5-18)15(20)14-3-2-12(9-16)21-14/h8,12,14H,2-7,9-10,16H2,1H3/t12-,14+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 120782461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).