5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide

C20H24N4O2 — CID 131900579

IUPAC5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C3CN4CCN(C3)CC2(c2ccccc2)C4)no1
InChIInChI=1S/C20H24N4O2/c1-14-9-17(22-26-14)19(25)21-18-15-10-23-7-8-24(11-15)13-20(18,12-23)16-5-3-2-4-6-16/h2-6,9,15,18H,7-8,10-13H2,1H3,(H,21,25)
InChIKeyKINBDEDHJGEAAA-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.28
Rot. Bonds3

About 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide (PubChem CID 131900579) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide
PubChem CID131900579
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C3CN4CCN(C3)CC2(c2ccccc2)C4)no1
InChIInChI=1S/C20H24N4O2/c1-14-9-17(22-26-14)19(25)21-18-15-10-23-7-8-24(11-15)13-20(18,12-23)16-5-3-2-4-6-16/h2-6,9,15,18H,7-8,10-13H2,1H3,(H,21,25)
InChIKeyKINBDEDHJGEAAA-UHFFFAOYSA-N
XLogP1.28
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)pyrazole-3-carboxamide
CID 131892112
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-4-ylacetamide
CID 131946986
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131897357
2-(1,3-benzodioxol-5-yl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131893762
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 154780076
N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
CID 176501665
2-methoxy-5-[[(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)amino]methyl]benzoic acid
CID 131907966
5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide
CID 91624689
4-[[(9R)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]amino]pyrimidine-5-carboxylic acid
CID 98842200
5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47800468
N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95583405
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
CID 131914689

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide (CID 131900579) is 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2C3CN4CCN(C3)CC2(c2ccccc2)C4)no1.
What is the InChIKey of 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KINBDEDHJGEAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-9-17(22-26-14)19(25)21-18-15-10-23-7-8-24(11-15)13-20(18,12-23)16-5-3-2-4-6-16/h2-6,9,15,18H,7-8,10-13H2,1H3,(H,21,25).
What are the key properties of 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131900579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).