(E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate

C19H14NO4- — CID 19965668

IUPAC(E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate
SMILESCc1oc(-c2ccco2)nc1/C=C/c1ccc(/C=C/C(=O)[O-])cc1
InChIInChI=1S/C19H15NO4/c1-13-16(20-19(24-13)17-3-2-12-23-17)10-8-14-4-6-15(7-5-14)9-11-18(21)22/h2-12H,1H3,(H,21,22)/p-1/b10-8+,11-9+
InChIKeyPVRFCSPWARXVNF-GFULKKFKSA-M
MW320.32 g/mol
LogP3.18
Rot. Bonds5

About (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate

(E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate (PubChem CID 19965668) has the molecular formula C19H14NO4- and a molecular weight of 320.32 g/mol. Its IUPAC name is (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate
PubChem CID19965668
Molecular FormulaC19H14NO4-
Molecular Weight320.32 g/mol
Exact Mass320.09
IUPAC Name(E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate
SMILESCc1oc(-c2ccco2)nc1/C=C/c1ccc(/C=C/C(=O)[O-])cc1
InChIInChI=1S/C19H15NO4/c1-13-16(20-19(24-13)17-3-2-12-23-17)10-8-14-4-6-15(7-5-14)9-11-18(21)22/h2-12H,1H3,(H,21,22)/p-1/b10-8+,11-9+
InChIKeyPVRFCSPWARXVNF-GFULKKFKSA-M
XLogP3.18
TPSA79.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate?
The IUPAC name of (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate (CID 19965668) is (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate.
What is the SMILES notation for (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate?
The canonical SMILES for (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate is Cc1oc(-c2ccco2)nc1/C=C/c1ccc(/C=C/C(=O)[O-])cc1.
What is the InChIKey of (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate?
The InChIKey is PVRFCSPWARXVNF-GFULKKFKSA-M. The full InChI is InChI=1S/C19H15NO4/c1-13-16(20-19(24-13)17-3-2-12-23-17)10-8-14-4-6-15(7-5-14)9-11-18(21)22/h2-12H,1H3,(H,21,22)/p-1/b10-8+,11-9+.
What are the key properties of (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate?
(E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate has a molecular weight of 320.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enoate is sourced from PubChem (CID 19965668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).