2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide

C18H16Cl2N2O4 — CID 46111591

IUPAC2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESCOc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)C(Cl)Cl)no1
InChIInChI=1S/C18H16Cl2N2O4/c1-24-15-7-3-2-6-14(15)16-9-12(21-26-16)10-22(18(23)17(19)20)11-13-5-4-8-25-13/h2-9,17H,10-11H2,1H3
InChIKeyBZCLQAQNJCMASN-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.28
Rot. Bonds7

About 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide

2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide (PubChem CID 46111591) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
PubChem CID46111591
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESCOc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)C(Cl)Cl)no1
InChIInChI=1S/C18H16Cl2N2O4/c1-24-15-7-3-2-6-14(15)16-9-12(21-26-16)10-22(18(23)17(19)20)11-13-5-4-8-25-13/h2-9,17H,10-11H2,1H3
InChIKeyBZCLQAQNJCMASN-UHFFFAOYSA-N
XLogP4.28
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The IUPAC name of 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide (CID 46111591) is 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide is COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)C(Cl)Cl)no1.
What is the InChIKey of 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The InChIKey is BZCLQAQNJCMASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-24-15-7-3-2-6-14(15)16-9-12(21-26-16)10-22(18(23)17(19)20)11-13-5-4-8-25-13/h2-9,17H,10-11H2,1H3.
What are the key properties of 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide has a molecular weight of 395.24 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide is sourced from PubChem (CID 46111591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).