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

C20H19ClN2O4 — CID 143074949

IUPAC4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nocc2-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-25-17-8-3-13(11-18(17)26-2)9-10-22-20(24)19-16(12-27-23-19)14-4-6-15(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyJTADCUMQFISBMF-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.98
Rot. Bonds7

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

4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 143074949) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID143074949
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nocc2-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-25-17-8-3-13(11-18(17)26-2)9-10-22-20(24)19-16(12-27-23-19)14-4-6-15(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyJTADCUMQFISBMF-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

1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175387
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 9270126
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71701513
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093872

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 143074949) is 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(CCNC(=O)c2nocc2-c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JTADCUMQFISBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-25-17-8-3-13(11-18(17)26-2)9-10-22-20(24)19-16(12-27-23-19)14-4-6-15(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-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 4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 143074949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).