5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C21H25BrN4O4 — CID 11951010

IUPAC5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CCc3onc(C(=O)NCCN4CCOCC4)c3C2)ccc1Br
InChIInChI=1S/C21H25BrN4O4/c1-14-12-15(2-3-17(14)22)21(28)26-6-4-18-16(13-26)19(24-30-18)20(27)23-5-7-25-8-10-29-11-9-25/h2-3,12H,4-11,13H2,1H3,(H,23,27)
InChIKeySBFOHPQGXUYHLI-UHFFFAOYSA-N
MW477.36 g/mol
LogP2.01
Rot. Bonds5

About 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 11951010) has the molecular formula C21H25BrN4O4 and a molecular weight of 477.36 g/mol. Its IUPAC name is 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID11951010
Molecular FormulaC21H25BrN4O4
Molecular Weight477.36 g/mol
Exact Mass476.11
IUPAC Name5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CCc3onc(C(=O)NCCN4CCOCC4)c3C2)ccc1Br
InChIInChI=1S/C21H25BrN4O4/c1-14-12-15(2-3-17(14)22)21(28)26-6-4-18-16(13-26)19(24-30-18)20(27)23-5-7-25-8-10-29-11-9-25/h2-3,12H,4-11,13H2,1H3,(H,23,27)
InChIKeySBFOHPQGXUYHLI-UHFFFAOYSA-N
XLogP2.01
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Related Compounds

[5-(4-bromo-3-methylbenzoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-(2-morpholin-4-ylethyl)carbamate
CID 91240891
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
5-[3-fluoro-4-(trifluoromethyl)benzoyl]-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 57434464
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 53052780
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113178152
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 11951010) is 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is Cc1cc(C(=O)N2CCc3onc(C(=O)NCCN4CCOCC4)c3C2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is SBFOHPQGXUYHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O4/c1-14-12-15(2-3-17(14)22)21(28)26-6-4-18-16(13-26)19(24-30-18)20(27)23-5-7-25-8-10-29-11-9-25/h2-3,12H,4-11,13H2,1H3,(H,23,27).
What are the key properties of 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 477.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 11951010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).