(3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C15H23N3O2 — CID 134790088

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1noc(C)c1C(=O)N1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C15H23N3O2/c1-9(2)17-7-12-5-6-13(8-17)18(12)15(19)14-10(3)16-20-11(14)4/h9,12-13H,5-8H2,1-4H3
InChIKeyVUJCNIARNVFASO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.99
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 134790088) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID134790088
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1noc(C)c1C(=O)N1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C15H23N3O2/c1-9(2)17-7-12-5-6-13(8-17)18(12)15(19)14-10(3)16-20-11(14)4/h9,12-13H,5-8H2,1-4H3
InChIKeyVUJCNIARNVFASO-UHFFFAOYSA-N
XLogP1.99
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 134790088) is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is Cc1noc(C)c1C(=O)N1C2CCC1CN(C(C)C)C2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is VUJCNIARNVFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)17-7-12-5-6-13(8-17)18(12)15(19)14-10(3)16-20-11(14)4/h9,12-13H,5-8H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 134790088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).