3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C26H27N5O3 — CID 59680411

IUPAC3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C26H27N5O3/c1-30-12-14-31(15-13-30)17-19-10-9-18(16-23(19)33-2)25(32)28-21-7-4-3-6-20(21)26-29-24-22(34-26)8-5-11-27-24/h3-11,16H,12-15,17H2,1-2H3,(H,28,32)
InChIKeyBHLLJKQSLKNVBL-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.90
Rot. Bonds6

About 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 59680411) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID59680411
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C26H27N5O3/c1-30-12-14-31(15-13-30)17-19-10-9-18(16-23(19)33-2)25(32)28-21-7-4-3-6-20(21)26-29-24-22(34-26)8-5-11-27-24/h3-11,16H,12-15,17H2,1-2H3,(H,28,32)
InChIKeyBHLLJKQSLKNVBL-UHFFFAOYSA-N
XLogP3.90
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-4-methoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59679941
3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide
CID 59680416
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide
CID 59679856
4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680112
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 59679963
3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1364042
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1167017
3-bromo-4-methoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 6497006
2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 58285138
3-iodo-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1102670
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide
CID 59680058

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 59680411) is 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)ccc1CN1CCN(C)CC1.
What is the InChIKey of 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is BHLLJKQSLKNVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-30-12-14-31(15-13-30)17-19-10-9-18(16-23(19)33-2)25(32)28-21-7-4-3-6-20(21)26-29-24-22(34-26)8-5-11-27-24/h3-11,16H,12-15,17H2,1-2H3,(H,28,32).
What are the key properties of 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 457.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 59680411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).