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

C14H22N4O2 — CID 124699056

IUPAC[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
SMILESN[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C14H22N4O2/c15-13-3-1-2-12(13)14(19)18-7-5-17(6-8-18)10-11-4-9-20-16-11/h4,9,12-13H,1-3,5-8,10,15H2/t12-,13+/m1/s1
InChIKeyKXOGXUNENSWBBV-OLZOCXBDSA-N
MW278.36 g/mol
LogP0.45
Rot. Bonds3

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

[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 124699056) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID124699056
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
SMILESN[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C14H22N4O2/c15-13-3-1-2-12(13)14(19)18-7-5-17(6-8-18)10-11-4-9-20-16-11/h4,9,12-13H,1-3,5-8,10,15H2/t12-,13+/m1/s1
InChIKeyKXOGXUNENSWBBV-OLZOCXBDSA-N
XLogP0.45
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 129000667
[(1R,2S)-2-aminocyclopentyl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 124697211
[(1S,2S)-2-aminocyclopentyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 124510940
N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 95967566
(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71989959
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 128984637
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 97318816
2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64822046
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
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 [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone (CID 124699056) is [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone is N[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KXOGXUNENSWBBV-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-13-3-1-2-12(13)14(19)18-7-5-17(6-8-18)10-11-4-9-20-16-11/h4,9,12-13H,1-3,5-8,10,15H2/t12-,13+/m1/s1.
What are the key properties of [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 278.36 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124699056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).