3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone

C11H15N3O2 — CID 175882074

IUPAC3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1C2CCC1CNC2
InChIInChI=1S/C11H15N3O2/c1-7-10(13-6-16-7)11(15)14-8-2-3-9(14)5-12-4-8/h6,8-9,12H,2-5H2,1H3
InChIKeyJZARQLPQSFBIHS-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.56
Rot. Bonds1

About 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone

3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 175882074) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone
PubChem CID175882074
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1C2CCC1CNC2
InChIInChI=1S/C11H15N3O2/c1-7-10(13-6-16-7)11(15)14-8-2-3-9(14)5-12-4-8/h6,8-9,12H,2-5H2,1H3
InChIKeyJZARQLPQSFBIHS-UHFFFAOYSA-N
XLogP0.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
5-methyl-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119558239
3,9-diazabicyclo[4.2.1]nonan-9-yl-(3-methylfuran-2-yl)methanone
CID 75595619
2,3-dihydroindol-1-yl-[(1S,2S,4S)-7-(5-methyl-1,3-oxazole-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 124731961
3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone
CID 175882073
[(4aR,7aS)-4-(5-methyl-1,3-oxazole-4-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-cyclopropylmethanone
CID 70762297
5-methyl-N-piperidin-4-yl-N-propyl-1,3-oxazole-4-carboxamide
CID 119825428
5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119532219
[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 95323240
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 133122860
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129330127

Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone (CID 175882074) is 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone is Cc1ocnc1C(=O)N1C2CCC1CNC2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is JZARQLPQSFBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-10(13-6-16-7)11(15)14-8-2-3-9(14)5-12-4-8/h6,8-9,12H,2-5H2,1H3.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone?
3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-8-yl-(5-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 175882074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).