N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H20N2O6 — CID 3236524

IUPACN-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C2=NOC(C(=O)NCc3ccco3)C2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O6/c1-22-14-7-11(8-15(23-2)17(14)24-3)13-9-16(26-20-13)18(21)19-10-12-5-4-6-25-12/h4-8,16H,9-10H2,1-3H3,(H,19,21)
InChIKeyOJEZUFXBDFIWGG-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.11
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3236524) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3236524
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C2=NOC(C(=O)NCc3ccco3)C2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O6/c1-22-14-7-11(8-15(23-2)17(14)24-3)13-9-16(26-20-13)18(21)19-10-12-5-4-6-25-12/h4-8,16H,9-10H2,1-3H3,(H,19,21)
InChIKeyOJEZUFXBDFIWGG-UHFFFAOYSA-N
XLogP2.11
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Benzamide, N-furfuryl-3,4,5-trimethoxy-
CID 43247
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N-{2-[(2,4,5-trimethoxybenzyl)amino]ethyl}furan-2-carboxamide
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3-{[2-(3,4-Dimethoxy-phenyl)-acetyl]-hydrazono}-N-furan-2-ylmethyl-butyramide
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N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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CID 2352576
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CID 16193876
N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
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[2-(Furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2115705
N-(2-furylmethyl)-2-(4-methoxy-3-propoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3236524) is N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cc(C2=NOC(C(=O)NCc3ccco3)C2)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OJEZUFXBDFIWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-22-14-7-11(8-15(23-2)17(14)24-3)13-9-16(26-20-13)18(21)19-10-12-5-4-6-25-12/h4-8,16H,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3236524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).