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

C15H18N2O5 — CID 71802444

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)on1
InChIInChI=1S/C15H18N2O5/c1-19-11-5-4-10(8-12(11)20-2)6-7-16-15(18)13-9-14(21-3)17-22-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyLCHZBGUGZOMTPE-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.67
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802444) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID71802444
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)on1
InChIInChI=1S/C15H18N2O5/c1-19-11-5-4-10(8-12(11)20-2)6-7-16-15(18)13-9-14(21-3)17-22-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyLCHZBGUGZOMTPE-UHFFFAOYSA-N
XLogP1.67
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 15994186
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide
CID 84575585
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 71802444) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)on1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is LCHZBGUGZOMTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-19-11-5-4-10(8-12(11)20-2)6-7-16-15(18)13-9-14(21-3)17-22-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).