(5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H26N4O4 — CID 28740927

IUPAC(5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NO[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)C2)c1C
InChIInChI=1S/C20H26N4O4/c1-5-24-13(2)15(12-22-24)16-11-19(28-23-16)20(25)21-9-8-14-6-7-17(26-3)18(10-14)27-4/h6-7,10,12,19H,5,8-9,11H2,1-4H3,(H,21,25)/t19-/m1/s1
InChIKeyVWSCMOSUJQCIIU-LJQANCHMSA-N
MW386.45 g/mol
LogP2.08
Rot. Bonds8

About (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 28740927) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID28740927
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name(5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NO[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)C2)c1C
InChIInChI=1S/C20H26N4O4/c1-5-24-13(2)15(12-22-24)16-11-19(28-23-16)20(25)21-9-8-14-6-7-17(26-3)18(10-14)27-4/h6-7,10,12,19H,5,8-9,11H2,1-4H3,(H,21,25)/t19-/m1/s1
InChIKeyVWSCMOSUJQCIIU-LJQANCHMSA-N
XLogP2.08
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095693
(5R)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carbonyl chloride
CID 97032907
(5S)-3-(2,5-dimethoxyphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503901
(5R)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40504811
(5S)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93242422
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095928
2-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]ethanamine
CID 19619312
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 110244393
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3710979
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 84578601

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 28740927) is (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NO[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)C2)c1C.
What is the InChIKey of (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VWSCMOSUJQCIIU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-5-24-13(2)15(12-22-24)16-11-19(28-23-16)20(25)21-9-8-14-6-7-17(26-3)18(10-14)27-4/h6-7,10,12,19H,5,8-9,11H2,1-4H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 28740927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).