3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide

C14H14BrClN2O2 — CID 103842001

IUPAC3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
SMILESCc1noc(C)c1C(C)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H14BrClN2O2/c1-7(13-8(2)18-20-9(13)3)17-14(19)10-4-5-12(16)11(15)6-10/h4-7H,1-3H3,(H,17,19)
InChIKeyVZJKAIUIXZGNDL-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.20
Rot. Bonds3

About 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide

3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide (PubChem CID 103842001) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
PubChem CID103842001
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
SMILESCc1noc(C)c1C(C)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H14BrClN2O2/c1-7(13-8(2)18-20-9(13)3)17-14(19)10-4-5-12(16)11(15)6-10/h4-7H,1-3H3,(H,17,19)
InChIKeyVZJKAIUIXZGNDL-UHFFFAOYSA-N
XLogP4.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide
CID 79465552
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-sulfanylbenzamide
CID 107032009
5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78961181
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-iodobenzamide
CID 78961175
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
CID 104783070
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
CID 78961269
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide
CID 79231664
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 79231949

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide (CID 103842001) is 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide is Cc1noc(C)c1C(C)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide?
The InChIKey is VZJKAIUIXZGNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-7(13-8(2)18-20-9(13)3)17-14(19)10-4-5-12(16)11(15)6-10/h4-7H,1-3H3,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide?
3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide has a molecular weight of 357.64 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103842001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).