[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone

C15H24N4O3 — CID 128984637

IUPAC[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccon3)CC2)N(C)C1
InChIInChI=1S/C15H24N4O3/c1-17-11-13(21-2)9-14(17)15(20)19-6-4-18(5-7-19)10-12-3-8-22-16-12/h3,8,13-14H,4-7,9-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyFXGMQGQDEBSIMN-KBPBESRZSA-N
MW308.38 g/mol
LogP0.04
Rot. Bonds4

About [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone

[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 128984637) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID128984637
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccon3)CC2)N(C)C1
InChIInChI=1S/C15H24N4O3/c1-17-11-13(21-2)9-14(17)15(20)19-6-4-18(5-7-19)10-12-3-8-22-16-12/h3,8,13-14H,4-7,9-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyFXGMQGQDEBSIMN-KBPBESRZSA-N
XLogP0.04
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 128985019
(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 129000667
[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 124699056
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methanone
CID 128984589
3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 167919502
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 128987459
N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 95967566
N-(2-methoxyphenyl)-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 71973092
methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
CID 97064939
N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 97318816
4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
CID 71995967
4-(1,2-oxazol-3-ylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 95907905

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone (CID 128984637) is [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone is CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccon3)CC2)N(C)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is FXGMQGQDEBSIMN-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17-11-13(21-2)9-14(17)15(20)19-6-4-18(5-7-19)10-12-3-8-22-16-12/h3,8,13-14H,4-7,9-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 128984637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).