(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C16H20N2O3 — CID 75387649

IUPAC(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCC(C)c2c(C)noc2C)o1
InChIInChI=1S/C16H20N2O3/c1-10(16-12(3)18-21-13(16)4)9-17-15(19)8-7-14-6-5-11(2)20-14/h5-8,10H,9H2,1-4H3,(H,17,19)/b8-7+
InChIKeyLXQBUHIFIZQSDR-BQYQJAHWSA-N
MW288.35 g/mol
LogP3.13
Rot. Bonds5

About (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 75387649) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID75387649
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCC(C)c2c(C)noc2C)o1
InChIInChI=1S/C16H20N2O3/c1-10(16-12(3)18-21-13(16)4)9-17-15(19)8-7-14-6-5-11(2)20-14/h5-8,10H,9H2,1-4H3,(H,17,19)/b8-7+
InChIKeyLXQBUHIFIZQSDR-BQYQJAHWSA-N
XLogP3.13
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.13
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

N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 77114203
3-(5-methylfuran-2-yl)-N-[4-methyl-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pentyl]prop-2-enamide
CID 72690283
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
4,4-dimethyl-2-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 107474203
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 97107504
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 5059755
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26456915
(E)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 103940956
(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6314090
2-[[3-(5-methylfuran-2-yl)prop-2-enoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71908562

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 75387649) is (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCC(C)c2c(C)noc2C)o1.
What is the InChIKey of (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is LXQBUHIFIZQSDR-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(16-12(3)18-21-13(16)4)9-17-15(19)8-7-14-6-5-11(2)20-14/h5-8,10H,9H2,1-4H3,(H,17,19)/b8-7+.
What are the key properties of (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 75387649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).