(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one

C16H23N3O3 — CID 70727364

IUPAC(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCC(C)Cc1cc(C(=O)N2C[C@H]3CCC[C@H](C2)C(=O)N3)on1
InChIInChI=1S/C16H23N3O3/c1-10(2)6-13-7-14(22-18-13)16(21)19-8-11-4-3-5-12(9-19)17-15(11)20/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyZVWBFXWDOVNONR-VXGBXAGGSA-N
MW305.38 g/mol
LogP1.61
Rot. Bonds3

About (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one

(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 70727364) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID70727364
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCC(C)Cc1cc(C(=O)N2C[C@H]3CCC[C@H](C2)C(=O)N3)on1
InChIInChI=1S/C16H23N3O3/c1-10(2)6-13-7-14(22-18-13)16(21)19-8-11-4-3-5-12(9-19)17-15(11)20/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyZVWBFXWDOVNONR-VXGBXAGGSA-N
XLogP1.61
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one with MolForge

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Launch Full Analysis

Related Compounds

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97147383
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 110105993
(9S,12S)-9,12-dimethyl-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 110063085
(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide
CID 124946177
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 70740173
[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 56914040
methyl 1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 50963151
[(1S,5R)-6-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-phenylmethanone
CID 72867738
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56888109
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(1S,5R)-3-(pyrazine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72859691
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124988560
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one (CID 70727364) is (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one is CC(C)Cc1cc(C(=O)N2C[C@H]3CCC[C@H](C2)C(=O)N3)on1.
What is the InChIKey of (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is ZVWBFXWDOVNONR-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)6-13-7-14(22-18-13)16(21)19-8-11-4-3-5-12(9-19)17-15(11)20/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one?
(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 305.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 70727364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).