5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide

C20H18N4O3S — CID 130299265

IUPAC5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2ncc(Cc3ccccc3)s2)COc2cccnc21
InChIInChI=1S/C20H18N4O3S/c1-24-17-16(8-5-9-21-17)27-12-15(20(24)26)23-18(25)19-22-11-14(28-19)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12H2,1H3,(H,23,25)
InChIKeyAGYUGYXKGNYJAO-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.28
Rot. Bonds4

About 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide

5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 130299265) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID130299265
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2ncc(Cc3ccccc3)s2)COc2cccnc21
InChIInChI=1S/C20H18N4O3S/c1-24-17-16(8-5-9-21-17)27-12-15(20(24)26)23-18(25)19-22-11-14(28-19)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12H2,1H3,(H,23,25)
InChIKeyAGYUGYXKGNYJAO-UHFFFAOYSA-N
XLogP2.28
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Benzyloxy-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 44391629
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,3-thiazole-2-carboxamide
CID 130299179
5-benzyl-N-[(3S)-5-methyl-4-sulfanylidene-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 155357336
5-benzyl-N-[(3R)-5-methyl-4-sulfanylidene-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 164621412
N-[(1S)-1-[4-[(3R)-1-[5-(3-fluoropropoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 91668657
5-benzyl-4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-thiazole-2-carboxamide
CID 130299381
4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808948
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 130298931
5-benzyl-4-cyano-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-thiazole-2-carboxamide
CID 130299215
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-thiazole-2-carboxamide
CID 130299261
5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-thiazole-2-carboxamide
CID 130299278
N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide
CID 130299324

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide (CID 130299265) is 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide is CN1C(=O)C(NC(=O)c2ncc(Cc3ccccc3)s2)COc2cccnc21.
What is the InChIKey of 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is AGYUGYXKGNYJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-24-17-16(8-5-9-21-17)27-12-15(20(24)26)23-18(25)19-22-11-14(28-19)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12H2,1H3,(H,23,25).
What are the key properties of 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide?
5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130299265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).