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

C25H24N4O4 — CID 59680112

IUPAC4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1CN1CCOCC1
InChIInChI=1S/C25H24N4O4/c1-31-21-8-7-17(14-19(21)16-29-10-12-32-13-11-29)24(30)27-20-5-2-4-18(15-20)25-28-23-22(33-25)6-3-9-26-23/h2-9,14-15H,10-13,16H2,1H3,(H,27,30)
InChIKeyKQWSPJYPLCBHIC-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.98
Rot. Bonds6

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

4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 59680112) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID59680112
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1CN1CCOCC1
InChIInChI=1S/C25H24N4O4/c1-31-21-8-7-17(14-19(21)16-29-10-12-32-13-11-29)24(30)27-20-5-2-4-18(15-20)25-28-23-22(33-25)6-3-9-26-23/h2-9,14-15H,10-13,16H2,1H3,(H,27,30)
InChIKeyKQWSPJYPLCBHIC-UHFFFAOYSA-N
XLogP3.98
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-3-nitro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1332228
3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide
CID 59680416
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-propoxybenzamide
CID 2285189
4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1215765
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680411
4-hydroxy-3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]benzamide
CID 71217839
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 1350972
4-nitro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 4599218
3-bromo-4-methoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 6497006
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
3,4,5-triethoxy-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 3509016
3-chloro-4-ethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 17162544

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 59680112) is 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1CN1CCOCC1.
What is the InChIKey of 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is KQWSPJYPLCBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-31-21-8-7-17(14-19(21)16-29-10-12-32-13-11-29)24(30)27-20-5-2-4-18(15-20)25-28-23-22(33-25)6-3-9-26-23/h2-9,14-15H,10-13,16H2,1H3,(H,27,30).
What are the key properties of 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 59680112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).