(Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide

C18H14N2O5 — CID 30608025

IUPAC(Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc2c(c1)OCO2)NCc1cc(-c2ccco2)on1
InChIInChI=1S/C18H14N2O5/c21-18(6-4-12-3-5-15-16(8-12)24-11-23-15)19-10-13-9-17(25-20-13)14-2-1-7-22-14/h1-9H,10-11H2,(H,19,21)/b6-4-
InChIKeyIOBQRXKGZTZUIB-XQRVVYSFSA-N
MW338.32 g/mol
LogP2.99
Rot. Bonds5

About (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide

(Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide (PubChem CID 30608025) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide
PubChem CID30608025
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name(Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc2c(c1)OCO2)NCc1cc(-c2ccco2)on1
InChIInChI=1S/C18H14N2O5/c21-18(6-4-12-3-5-15-16(8-12)24-11-23-15)19-10-13-9-17(25-20-13)14-2-1-7-22-14/h1-9H,10-11H2,(H,19,21)/b6-4-
InChIKeyIOBQRXKGZTZUIB-XQRVVYSFSA-N
XLogP2.99
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]-2-hydroxyethyl]prop-2-enamide
CID 171145415
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 74513874
(E)-3-(1,3-benzodioxol-5-yl)-N-[8-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]octyl]prop-2-enamide
CID 6306583
(E)-3-(1,3-benzodioxol-5-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8969012
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethylamino]ethyl]prop-2-enamide;hydrate;hydrochloride
CID 70245016
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 5350424
(E)-3-(1,3-benzodioxol-5-yl)-N-(oxiran-2-ylmethyl)prop-2-enamide
CID 102548477
N-[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629544
(E)-3-(1,3-benzodioxol-5-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
CID 107844888
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 77114116
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1-hydroxycyclobutyl)methyl]prop-2-enamide
CID 115643334

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide?
The IUPAC name of (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide (CID 30608025) is (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide is O=C(/C=C\c1ccc2c(c1)OCO2)NCc1cc(-c2ccco2)on1.
What is the InChIKey of (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide?
The InChIKey is IOBQRXKGZTZUIB-XQRVVYSFSA-N. The full InChI is InChI=1S/C18H14N2O5/c21-18(6-4-12-3-5-15-16(8-12)24-11-23-15)19-10-13-9-17(25-20-13)14-2-1-7-22-14/h1-9H,10-11H2,(H,19,21)/b6-4-.
What are the key properties of (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide?
(Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide has a molecular weight of 338.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 30608025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).