2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone

C17H19BrN2O3 — CID 110631395

IUPAC2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCc1oc(-c2cccc(Br)c2)nc1CC(=O)N1CCOC(C)C1
InChIInChI=1S/C17H19BrN2O3/c1-11-10-20(6-7-22-11)16(21)9-15-12(2)23-17(19-15)13-4-3-5-14(18)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3
InChIKeyISMJDEMBXVUKHK-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.20
Rot. Bonds3

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

2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 110631395) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID110631395
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCc1oc(-c2cccc(Br)c2)nc1CC(=O)N1CCOC(C)C1
InChIInChI=1S/C17H19BrN2O3/c1-11-10-20(6-7-22-11)16(21)9-15-12(2)23-17(19-15)13-4-3-5-14(18)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3
InChIKeyISMJDEMBXVUKHK-UHFFFAOYSA-N
XLogP3.20
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110416327
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110354510
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
CID 110414855
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629799
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3795731
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 110612077
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110413016
1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
CID 110673679
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone (CID 110631395) is 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone is Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N1CCOC(C)C1.
What is the InChIKey of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is ISMJDEMBXVUKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11-10-20(6-7-22-11)16(21)9-15-12(2)23-17(19-15)13-4-3-5-14(18)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 379.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 110631395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).