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

C18H15F3N2O4 — CID 28815180

IUPAC(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C18H15F3N2O4/c1-25-15-5-3-2-4-13(15)14-10-16(27-23-14)17(24)22-11-6-8-12(9-7-11)26-18(19,20)21/h2-9,16H,10H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyVVMYOOBVIZXKIH-MRXNPFEDSA-N
MW380.32 g/mol
LogP3.73
Rot. Bonds5

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

(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 28815180) has the molecular formula C18H15F3N2O4 and a molecular weight of 380.32 g/mol. Its IUPAC name is (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID28815180
Molecular FormulaC18H15F3N2O4
Molecular Weight380.32 g/mol
Exact Mass380.10
IUPAC Name(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C18H15F3N2O4/c1-25-15-5-3-2-4-13(15)14-10-16(27-23-14)17(24)22-11-6-8-12(9-7-11)26-18(19,20)21/h2-9,16H,10H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyVVMYOOBVIZXKIH-MRXNPFEDSA-N
XLogP3.73
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
3-(2-methoxyphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493827
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
(5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29092726
(5R)-3-(3-bromophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302210
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493674
(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
(5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503834
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493686
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 28815180) is (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VVMYOOBVIZXKIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15F3N2O4/c1-25-15-5-3-2-4-13(15)14-10-16(27-23-14)17(24)22-11-6-8-12(9-7-11)26-18(19,20)21/h2-9,16H,10H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 380.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 28815180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).