3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H18Cl2N2O4 — CID 3540828

IUPAC3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3cc(Cl)c(OC)c(Cl)c3)noc2C)cc1
InChIInChI=1S/C20H18Cl2N2O4/c1-11-17(20(25)23-10-12-4-6-14(26-2)7-5-12)18(24-28-11)13-8-15(21)19(27-3)16(22)9-13/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyXVLAATDFYXYTCW-UHFFFAOYSA-N
MW421.28 g/mol
LogP4.90
Rot. Bonds6

About 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3540828) has the molecular formula C20H18Cl2N2O4 and a molecular weight of 421.28 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3540828
Molecular FormulaC20H18Cl2N2O4
Molecular Weight421.28 g/mol
Exact Mass420.06
IUPAC Name3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3cc(Cl)c(OC)c(Cl)c3)noc2C)cc1
InChIInChI=1S/C20H18Cl2N2O4/c1-11-17(20(25)23-10-12-4-6-14(26-2)7-5-12)18(24-28-11)13-8-15(21)19(27-3)16(22)9-13/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyXVLAATDFYXYTCW-UHFFFAOYSA-N
XLogP4.90
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 3540828) is 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(CNC(=O)c2c(-c3cc(Cl)c(OC)c(Cl)c3)noc2C)cc1.
What is the InChIKey of 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XVLAATDFYXYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4/c1-11-17(20(25)23-10-12-4-6-14(26-2)7-5-12)18(24-28-11)13-8-15(21)19(27-3)16(22)9-13/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 421.28 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3540828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).