2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide

C21H18N4O4 — CID 46365556

IUPAC2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2cccc(-c3ccno3)c2)c2ccccc2C1=O
InChIInChI=1S/C21H18N4O4/c1-24-13-20(27)25(17-8-3-2-7-16(17)21(24)28)12-19(26)23-15-6-4-5-14(11-15)18-9-10-22-29-18/h2-11H,12-13H2,1H3,(H,23,26)
InChIKeySUAOYWWXLADQIB-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide

2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide (PubChem CID 46365556) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide
PubChem CID46365556
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2cccc(-c3ccno3)c2)c2ccccc2C1=O
InChIInChI=1S/C21H18N4O4/c1-24-13-20(27)25(17-8-3-2-7-16(17)21(24)28)12-19(26)23-15-6-4-5-14(11-15)18-9-10-22-29-18/h2-11H,12-13H2,1H3,(H,23,26)
InChIKeySUAOYWWXLADQIB-UHFFFAOYSA-N
XLogP2.40
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
CID 46365483
N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
CID 46365546
N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014767
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
3-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanoic acid
CID 10849046
4-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepine-2,5-dione
CID 46365504
2-(1,3-dioxoisoindol-2-yl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861308
2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 9201030
N-(3-bromophenyl)-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 46386875
2-(1,3-dioxoisoindol-2-yl)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 27421729
N-(3-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9038995
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide (CID 46365556) is 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide is CN1CC(=O)N(CC(=O)Nc2cccc(-c3ccno3)c2)c2ccccc2C1=O.
What is the InChIKey of 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide?
The InChIKey is SUAOYWWXLADQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-24-13-20(27)25(17-8-3-2-7-16(17)21(24)28)12-19(26)23-15-6-4-5-14(11-15)18-9-10-22-29-18/h2-11H,12-13H2,1H3,(H,23,26).
What are the key properties of 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide?
2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide has a molecular weight of 390.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 46365556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).