[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C28H30N4O3 — CID 110150536

IUPAC[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1noc(C)c1COc1cccc(C(=O)N2C3CCC2CC(Cc2cnc4[nH]ccc4c2)C3)c1
InChIInChI=1S/C28H30N4O3/c1-17-26(18(2)35-31-17)16-34-25-5-3-4-22(14-25)28(33)32-23-6-7-24(32)13-19(12-23)10-20-11-21-8-9-29-27(21)30-15-20/h3-5,8-9,11,14-15,19,23-24H,6-7,10,12-13,16H2,1-2H3,(H,29,30)
InChIKeyLEOOUQVVSVMDLA-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.37
Rot. Bonds6

About [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 110150536) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID110150536
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1noc(C)c1COc1cccc(C(=O)N2C3CCC2CC(Cc2cnc4[nH]ccc4c2)C3)c1
InChIInChI=1S/C28H30N4O3/c1-17-26(18(2)35-31-17)16-34-25-5-3-4-22(14-25)28(33)32-23-6-7-24(32)13-19(12-23)10-20-11-21-8-9-29-27(21)30-15-20/h3-5,8-9,11,14-15,19,23-24H,6-7,10,12-13,16H2,1-2H3,(H,29,30)
InChIKeyLEOOUQVVSVMDLA-UHFFFAOYSA-N
XLogP5.37
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
(4-cyclopentylpiperazin-1-yl)-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 134020443
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097025
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 7964223
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-methylpiperidin-3-yl)benzamide
CID 71938524
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 55956856
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 48584384
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31729088
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4025543
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 43060273
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533897

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 110150536) is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cc1noc(C)c1COc1cccc(C(=O)N2C3CCC2CC(Cc2cnc4[nH]ccc4c2)C3)c1.
What is the InChIKey of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is LEOOUQVVSVMDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-17-26(18(2)35-31-17)16-34-25-5-3-4-22(14-25)28(33)32-23-6-7-24(32)13-19(12-23)10-20-11-21-8-9-29-27(21)30-15-20/h3-5,8-9,11,14-15,19,23-24H,6-7,10,12-13,16H2,1-2H3,(H,29,30).
What are the key properties of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 470.57 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 110150536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).