(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H20N2O4 — CID 29089716

IUPAC(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2CC(c3ccc(OC)cc3)=NO2)cc1
InChIInChI=1S/C19H20N2O4/c1-3-24-16-10-6-14(7-11-16)20-19(22)18-12-17(21-25-18)13-4-8-15(23-2)9-5-13/h4-11,18H,3,12H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyCGXVGBYQXYXGJX-GOSISDBHSA-N
MW340.38 g/mol
LogP3.23
Rot. Bonds6

About (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 29089716) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID29089716
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2CC(c3ccc(OC)cc3)=NO2)cc1
InChIInChI=1S/C19H20N2O4/c1-3-24-16-10-6-14(7-11-16)20-19(22)18-12-17(21-25-18)13-4-8-15(23-2)9-5-13/h4-11,18H,3,12H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyCGXVGBYQXYXGJX-GOSISDBHSA-N
XLogP3.23
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619745
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503534
(5S)-N-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503947
N-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491428
ethyl 2-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19491458
N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491412
(5S)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503587
3-(4-methoxyphenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491496
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491575

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 29089716) is (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCOc1ccc(NC(=O)[C@H]2CC(c3ccc(OC)cc3)=NO2)cc1.
What is the InChIKey of (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CGXVGBYQXYXGJX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-24-16-10-6-14(7-11-16)20-19(22)18-12-17(21-25-18)13-4-8-15(23-2)9-5-13/h4-11,18H,3,12H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 29089716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).