3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide

C16H18BrN3O3 — CID 167980380

IUPAC3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCCNC(=O)[C@@H](CC)NC(=O)c1cc(-c2cccc(Br)c2)no1
InChIInChI=1S/C16H18BrN3O3/c1-3-12(15(21)18-4-2)19-16(22)14-9-13(20-23-14)10-6-5-7-11(17)8-10/h5-9,12H,3-4H2,1-2H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyRADOFBAJQNYMOP-GFCCVEGCSA-N
MW380.24 g/mol
LogP2.75
Rot. Bonds6

About 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide

3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 167980380) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID167980380
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCCNC(=O)[C@@H](CC)NC(=O)c1cc(-c2cccc(Br)c2)no1
InChIInChI=1S/C16H18BrN3O3/c1-3-12(15(21)18-4-2)19-16(22)14-9-13(20-23-14)10-6-5-7-11(17)8-10/h5-9,12H,3-4H2,1-2H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyRADOFBAJQNYMOP-GFCCVEGCSA-N
XLogP2.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride
CID 82371429
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596785
3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide
CID 95348268
N-butan-2-yl-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
CID 135506185
3-(3-bromophenyl)-N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 170223650
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
CID 130347905
2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid
CID 119192106
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide (CID 167980380) is 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide is CCNC(=O)[C@@H](CC)NC(=O)c1cc(-c2cccc(Br)c2)no1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is RADOFBAJQNYMOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-3-12(15(21)18-4-2)19-16(22)14-9-13(20-23-14)10-6-5-7-11(17)8-10/h5-9,12H,3-4H2,1-2H3,(H,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide?
3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167980380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).