(5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H12BrF3N2O3 — CID 1302210

IUPAC(5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(c2cccc(Br)c2)=NO1
InChIInChI=1S/C17H12BrF3N2O3/c18-11-3-1-2-10(8-11)14-9-15(26-23-14)16(24)22-12-4-6-13(7-5-12)25-17(19,20)21/h1-8,15H,9H2,(H,22,24)/t15-/m1/s1
InChIKeyNBGMPVHBFWUQMN-OAHLLOKOSA-N
MW429.19 g/mol
LogP4.48
Rot. Bonds4

About (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 1302210) has the molecular formula C17H12BrF3N2O3 and a molecular weight of 429.19 g/mol. Its IUPAC name is (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID1302210
Molecular FormulaC17H12BrF3N2O3
Molecular Weight429.19 g/mol
Exact Mass428.00
IUPAC Name(5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(c2cccc(Br)c2)=NO1
InChIInChI=1S/C17H12BrF3N2O3/c18-11-3-1-2-10(8-11)14-9-15(26-23-14)16(24)22-12-4-6-13(7-5-12)25-17(19,20)21/h1-8,15H,9H2,(H,22,24)/t15-/m1/s1
InChIKeyNBGMPVHBFWUQMN-OAHLLOKOSA-N
XLogP4.48
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.19
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28815180
3-(3-bromophenyl)-N-(2,6-dibromo-4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493900
3-(3-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962228
(5R)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 973847
(5S)-3-(3-bromophenyl)-N-(5-chloro-2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302199
3-(3-bromophenyl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495588
3-(3-bromophenyl)-N-(4-ethoxy-2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495551
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
3-(3-bromophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495601
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 1302210) is (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(c2cccc(Br)c2)=NO1.
What is the InChIKey of (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NBGMPVHBFWUQMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H12BrF3N2O3/c18-11-3-1-2-10(8-11)14-9-15(26-23-14)16(24)22-12-4-6-13(7-5-12)25-17(19,20)21/h1-8,15H,9H2,(H,22,24)/t15-/m1/s1.
What are the key properties of (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 429.19 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 1302210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).