5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide

C20H19ClN2O4 — CID 59170186

IUPAC5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnoc2-c2ccccc2Cl)cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-25-17-8-7-13(11-18(17)26-2)9-10-22-20(24)15-12-23-27-19(15)14-5-3-4-6-16(14)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyROMHFOMBQPGFKN-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.98
Rot. Bonds7

About 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide

5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 59170186) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID59170186
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnoc2-c2ccccc2Cl)cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-25-17-8-7-13(11-18(17)26-2)9-10-22-20(24)15-12-23-27-19(15)14-5-3-4-6-16(14)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyROMHFOMBQPGFKN-UHFFFAOYSA-N
XLogP3.98
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093872
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1070606
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
2-chloro-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 9269951
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
CID 110790237
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
5-amino-1-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide
CID 6498365
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide (CID 59170186) is 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2cnoc2-c2ccccc2Cl)cc1OC.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ROMHFOMBQPGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-25-17-8-7-13(11-18(17)26-2)9-10-22-20(24)15-12-23-27-19(15)14-5-3-4-6-16(14)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 59170186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).