2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide

C16H19BrN2O2 — CID 110414855

IUPAC2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1nc(-c2cccc(Br)c2)oc1C
InChIInChI=1S/C16H19BrN2O2/c1-4-19(5-2)15(20)10-14-11(3)21-16(18-14)12-7-6-8-13(17)9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyJPFDQFWCLHLEAB-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide

2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide (PubChem CID 110414855) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
PubChem CID110414855
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1nc(-c2cccc(Br)c2)oc1C
InChIInChI=1S/C16H19BrN2O2/c1-4-19(5-2)15(20)10-14-11(3)21-16(18-14)12-7-6-8-13(17)9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyJPFDQFWCLHLEAB-UHFFFAOYSA-N
XLogP3.82
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110420420
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-fluorophenyl)acetamide
CID 110420304
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide
CID 110428424
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110416327
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 110631395
3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3503612
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 20823121
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24676962
N,N-diethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 55513764
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612676
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 110673661

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide (CID 110414855) is 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1nc(-c2cccc(Br)c2)oc1C.
What is the InChIKey of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide?
The InChIKey is JPFDQFWCLHLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-19(5-2)15(20)10-14-11(3)21-16(18-14)12-7-6-8-13(17)9-12/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide?
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide has a molecular weight of 351.24 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 110414855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).