2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide

C16H18BrN3O3 — CID 1195809

IUPAC2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN(CC)C(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C16H18BrN3O3/c1-3-18-15(21)13-10-23-14(19-13)9-20(4-2)16(22)11-6-5-7-12(17)8-11/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyHJIAGYITECQBMN-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.85
Rot. Bonds6

About 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide

2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 1195809) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
PubChem CID1195809
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN(CC)C(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C16H18BrN3O3/c1-3-18-15(21)13-10-23-14(19-13)9-20(4-2)16(22)11-6-5-7-12(17)8-11/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyHJIAGYITECQBMN-UHFFFAOYSA-N
XLogP2.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 810648
2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 3990997
2-[[(2-chloro-4-nitrobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 1195801
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 4567958
N-(2-methylpropyl)-2-[[2-methylpropyl-(3-nitrobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3643941
3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
CID 80659958
methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197462
2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 4221423
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 24712766
2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3658144
2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3902815

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide (CID 1195809) is 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide is CCNC(=O)c1coc(CN(CC)C(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is HJIAGYITECQBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-3-18-15(21)13-10-23-14(19-13)9-20(4-2)16(22)11-6-5-7-12(17)8-11/h5-8,10H,3-4,9H2,1-2H3,(H,18,21).
What are the key properties of 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 1195809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).