N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide

C11H11BrN2O2 — CID 102548684

IUPACN-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESO=C(NCC1CC(Br)=NO1)c1ccccc1
InChIInChI=1S/C11H11BrN2O2/c12-10-6-9(16-14-10)7-13-11(15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)
InChIKeyGYHHXJYGMSVAID-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.91
Rot. Bonds3

About N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide

N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 102548684) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID102548684
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC NameN-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESO=C(NCC1CC(Br)=NO1)c1ccccc1
InChIInChI=1S/C11H11BrN2O2/c12-10-6-9(16-14-10)7-13-11(15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)
InChIKeyGYHHXJYGMSVAID-UHFFFAOYSA-N
XLogP1.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 54361588
1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenylurea
CID 11150668
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
1-oxido-N-[[(5S)-3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyridin-1-ium-4-carboxamide
CID 97352135
4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017197
N-(1,3-dioxolan-4-ylmethyl)benzamide
CID 69336579
benzyl N-[1-[[(5R)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 10390214
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
CID 45243375
quinolin-3-ylmethyl (2S,4R)-4-benzamido-2-[[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 118277943
2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052078
2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017144
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide
CID 144993930

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (CID 102548684) is N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is O=C(NCC1CC(Br)=NO1)c1ccccc1.
What is the InChIKey of N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is GYHHXJYGMSVAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-10-6-9(16-14-10)7-13-11(15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15).
What are the key properties of N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 283.12 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 102548684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).