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

C15H24N4O3 — CID 128977921

IUPAC[(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCO[C@@H]1CN[C@H](C(=O)N2CCN(Cc3cc(C)no3)CC2)C1
InChIInChI=1S/C15H24N4O3/c1-11-7-13(22-17-11)10-18-3-5-19(6-4-18)15(20)14-8-12(21-2)9-16-14/h7,12,14,16H,3-6,8-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyMSIBUPLJGMWIIB-JSGCOSHPSA-N
MW308.38 g/mol
LogP0.00
Rot. Bonds4

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

[(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 128977921) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID128977921
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name[(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCO[C@@H]1CN[C@H](C(=O)N2CCN(Cc3cc(C)no3)CC2)C1
InChIInChI=1S/C15H24N4O3/c1-11-7-13(22-17-11)10-18-3-5-19(6-4-18)15(20)14-8-12(21-2)9-16-14/h7,12,14,16H,3-6,8-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyMSIBUPLJGMWIIB-JSGCOSHPSA-N
XLogP0.00
TPSA70.84 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 ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone
CID 61213622
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119399338
[2-(4-fluorophenyl)cyclopropyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51295547
(3-aminocyclohexyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399287
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95140275
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
(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-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 120782461
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone
CID 119399315
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride
CID 119399314

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (CID 128977921) is [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is CO[C@@H]1CN[C@H](C(=O)N2CCN(Cc3cc(C)no3)CC2)C1.
What is the InChIKey of [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is MSIBUPLJGMWIIB-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-7-13(22-17-11)10-18-3-5-19(6-4-18)15(20)14-8-12(21-2)9-16-14/h7,12,14,16H,3-6,8-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
[(2S,4S)-4-methoxypyrrolidin-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 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxypyrrolidin-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 128977921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).