(5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one

C14H20N4O4 — CID 138035634

IUPAC(5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1nc(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)no1
InChIInChI=1S/C14H20N4O4/c1-8(2)12-16-11(17-22-12)9-3-5-18(6-4-9)13(19)10-7-15-14(20)21-10/h8-10H,3-7H2,1-2H3,(H,15,20)/t10-/m0/s1
InChIKeyCBBCDAFWLOQTMB-JTQLQIEISA-N
MW308.34 g/mol
LogP1.01
Rot. Bonds3

About (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one

(5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 138035634) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID138035634
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1nc(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)no1
InChIInChI=1S/C14H20N4O4/c1-8(2)12-16-11(17-22-12)9-3-5-18(6-4-9)13(19)10-7-15-14(20)21-10/h8-10H,3-7H2,1-2H3,(H,15,20)/t10-/m0/s1
InChIKeyCBBCDAFWLOQTMB-JTQLQIEISA-N
XLogP1.01
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-3,4-dihydroisoquinolin-1-one
CID 126812858
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734693
[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94032209
[(2S)-1-methylpiperidin-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765312
(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765310
(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95734723
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734898
[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 126810773
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734887
3,4-dihydro-2H-pyran-5-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95760820

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one (CID 138035634) is (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one is CC(C)c1nc(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)no1.
What is the InChIKey of (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is CBBCDAFWLOQTMB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O4/c1-8(2)12-16-11(17-22-12)9-3-5-18(6-4-9)13(19)10-7-15-14(20)21-10/h8-10H,3-7H2,1-2H3,(H,15,20)/t10-/m0/s1.
What are the key properties of (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one?
(5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 308.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138035634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).