5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

C15H11N3O2S — CID 6200614

IUPAC5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2cccs2)oc1NCc1ccco1
InChIInChI=1S/C15H11N3O2S/c16-9-13-15(17-10-11-3-1-7-19-11)20-14(18-13)6-5-12-4-2-8-21-12/h1-8,17H,10H2/b6-5+
InChIKeyHDPDVUZTBUGJDE-AATRIKPKSA-N
MW297.34 g/mol
LogP3.98
Rot. Bonds5

About 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 6200614) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID6200614
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2cccs2)oc1NCc1ccco1
InChIInChI=1S/C15H11N3O2S/c16-9-13-15(17-10-11-3-1-7-19-11)20-14(18-13)6-5-12-4-2-8-21-12/h1-8,17H,10H2/b6-5+
InChIKeyHDPDVUZTBUGJDE-AATRIKPKSA-N
XLogP3.98
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile (CID 6200614) is 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(/C=C/c2cccs2)oc1NCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is HDPDVUZTBUGJDE-AATRIKPKSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-9-13-15(17-10-11-3-1-7-19-11)20-14(18-13)6-5-12-4-2-8-21-12/h1-8,17H,10H2/b6-5+.
What are the key properties of 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 297.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6200614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).