3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide

C20H14N2O3 — CID 727013

IUPAC3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H14N2O3/c23-19(11-9-16-7-4-12-24-16)21-15-8-10-18-17(13-15)22-20(25-18)14-5-2-1-3-6-14/h1-13H,(H,21,23)
InChIKeyQCWQCPXWXQETCT-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.74
Rot. Bonds4

About 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide

3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide (PubChem CID 727013) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
PubChem CID727013
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H14N2O3/c23-19(11-9-16-7-4-12-24-16)21-15-8-10-18-17(13-15)22-20(25-18)14-5-2-1-3-6-14/h1-13H,(H,21,23)
InChIKeyQCWQCPXWXQETCT-UHFFFAOYSA-N
XLogP4.74
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.74
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

3-(furan-2-yl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 1327368
(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 782263
(Z)-N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 2298621
(E)-N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1339097
(E)-3-(furan-2-yl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 17163371
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1109862
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1109866
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide
CID 171138075
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1322841
(E)-3-(3,4-dimethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 21214049
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
(Z)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2202149

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide (CID 727013) is 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide is O=C(C=Cc1ccco1)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide?
The InChIKey is QCWQCPXWXQETCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-19(11-9-16-7-4-12-24-16)21-15-8-10-18-17(13-15)22-20(25-18)14-5-2-1-3-6-14/h1-13H,(H,21,23).
What are the key properties of 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide?
3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide has a molecular weight of 330.34 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide is sourced from PubChem (CID 727013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).