(5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H18N2O5 — CID 40503997

IUPAC(5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NO[C@@H](C(=O)Nc3cccc(O)c3)C2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-23-15-7-6-11(8-16(15)24-2)14-10-17(25-20-14)18(22)19-12-4-3-5-13(21)9-12/h3-9,17,21H,10H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyLESIDTNMPFIAMO-QGZVFWFLSA-N
MW342.35 g/mol
LogP2.54
Rot. Bonds5

About (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 40503997) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID40503997
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NO[C@@H](C(=O)Nc3cccc(O)c3)C2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-23-15-7-6-11(8-16(15)24-2)14-10-17(25-20-14)18(22)19-12-4-3-5-13(21)9-12/h3-9,17,21H,10H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyLESIDTNMPFIAMO-QGZVFWFLSA-N
XLogP2.54
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503534
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503706
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158099
N-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095913
3-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 171133353
(5S)-N-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503947
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095928
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489483
N-(3,4-diethoxyphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46436237
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095693

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 40503997) is (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NO[C@@H](C(=O)Nc3cccc(O)c3)C2)cc1OC.
What is the InChIKey of (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LESIDTNMPFIAMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-15-7-6-11(8-16(15)24-2)14-10-17(25-20-14)18(22)19-12-4-3-5-13(21)9-12/h3-9,17,21H,10H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,4-dimethoxyphenyl)-N-(3-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40503997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).