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

C13H14N2O3 — CID 71789674

IUPAC(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide
SMILESCc1cc(CCNC(=O)/C=C/c2ccco2)on1
InChIInChI=1S/C13H14N2O3/c1-10-9-12(18-15-10)6-7-14-13(16)5-4-11-3-2-8-17-11/h2-5,8-9H,6-7H2,1H3,(H,14,16)/b5-4+
InChIKeyRMAGBLLXATYFNP-SNAWJCMRSA-N
MW246.27 g/mol
LogP1.95
Rot. Bonds5

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

(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide (PubChem CID 71789674) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide
PubChem CID71789674
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide
SMILESCc1cc(CCNC(=O)/C=C/c2ccco2)on1
InChIInChI=1S/C13H14N2O3/c1-10-9-12(18-15-10)6-7-14-13(16)5-4-11-3-2-8-17-11/h2-5,8-9H,6-7H2,1H3,(H,14,16)/b5-4+
InChIKeyRMAGBLLXATYFNP-SNAWJCMRSA-N
XLogP1.95
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-(furan-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]prop-2-enamide
CID 71960531
3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
CID 71962615
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
CID 86263711
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide (CID 71789674) is (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide is Cc1cc(CCNC(=O)/C=C/c2ccco2)on1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is RMAGBLLXATYFNP-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-10-9-12(18-15-10)6-7-14-13(16)5-4-11-3-2-8-17-11/h2-5,8-9H,6-7H2,1H3,(H,14,16)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 246.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 71789674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).