2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C17H20BrN3O3 — CID 3648005

IUPAC2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)c1ccccc1Br
InChIInChI=1S/C17H20BrN3O3/c1-4-11(2)21(17(23)13-7-5-6-8-14(13)18)10-16(22)19-15-9-12(3)24-20-15/h5-9,11H,4,10H2,1-3H3,(H,19,20,22)
InChIKeyXQYXSFYJJOLJDP-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.62
Rot. Bonds6

About 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 3648005) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID3648005
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Name2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)c1ccccc1Br
InChIInChI=1S/C17H20BrN3O3/c1-4-11(2)21(17(23)13-7-5-6-8-14(13)18)10-16(22)19-15-9-12(3)24-20-15/h5-9,11H,4,10H2,1-3H3,(H,19,20,22)
InChIKeyXQYXSFYJJOLJDP-UHFFFAOYSA-N
XLogP3.62
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4054313
N-[(2R)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 7356137
2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42768895
N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4088042
N-butan-2-yl-4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3559982
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 42768904
2-[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4099602
2-chloro-N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4126434
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768797
trans-(1R,2R)-N-[(2S)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 11903460
2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4099510
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4997300

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 3648005) is 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is CCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is XQYXSFYJJOLJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-4-11(2)21(17(23)13-7-5-6-8-14(13)18)10-16(22)19-15-9-12(3)24-20-15/h5-9,11H,4,10H2,1-3H3,(H,19,20,22).
What are the key properties of 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 394.27 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3648005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).