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

C17H18N2O5 — CID 3235582

IUPAC3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3ccco3)C2)cc1OC
InChIInChI=1S/C17H18N2O5/c1-21-14-6-5-11(8-15(14)22-2)13-9-16(24-19-13)17(20)18-10-12-4-3-7-23-12/h3-8,16H,9-10H2,1-2H3,(H,18,20)
InChIKeyGULDYMSUWKUQQR-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.11
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3235582) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3235582
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3ccco3)C2)cc1OC
InChIInChI=1S/C17H18N2O5/c1-21-14-6-5-11(8-15(14)22-2)13-9-16(24-19-13)17(20)18-10-12-4-3-7-23-12/h3-8,16H,9-10H2,1-2H3,(H,18,20)
InChIKeyGULDYMSUWKUQQR-UHFFFAOYSA-N
XLogP2.11
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxy-4-propylphenoxy)methyl]-N-propyl-2-furamide
CID 2166253
[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 2952169
3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid
CID 645152
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 703899
2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 6893006
3-{[2-(3,4-Dimethoxy-phenyl)-acetyl]-hydrazono}-N-furan-2-ylmethyl-butyramide
CID 9609413
N-[1-Furan-2-yl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3,4-dimethoxy-benzamide
CID 9626106
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 24685929
N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2978784
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2352576
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158108
3-(4-fluorophenyl)-N-(2-furylmethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 16193876

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3235582) is 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NCc3ccco3)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GULDYMSUWKUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-21-14-6-5-11(8-15(14)22-2)13-9-16(24-19-13)17(20)18-10-12-4-3-7-23-12/h3-8,16H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3235582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).