5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C13H9N3O2S — CID 892464

IUPAC5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1NCc1ccco1
InChIInChI=1S/C13H9N3O2S/c14-7-10-12(15-8-9-3-1-5-17-9)18-13(16-10)11-4-2-6-19-11/h1-6,15H,8H2
InChIKeyOCKMFZJZKPBHCT-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.48
Rot. Bonds4

About 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 892464) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID892464
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1NCc1ccco1
InChIInChI=1S/C13H9N3O2S/c14-7-10-12(15-8-9-3-1-5-17-9)18-13(16-10)11-4-2-6-19-11/h1-6,15H,8H2
InChIKeyOCKMFZJZKPBHCT-UHFFFAOYSA-N
XLogP3.48
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Allylamino)-2-(2-thienyl)-1,3-oxazole-4-carbonitrile
CID 1986205
5-{[2-(Morpholin-4-yl)ethyl]amino}-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661062
5-[(2-Phenylethyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661185
5-(Benzylamino)-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661217
5-(Dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 661233
2-(2-Furanyl)-5-(2-furanylmethylamino)-4-oxazolecarbonitrile
CID 664051
5-(4-Morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile
CID 892396
5-(Methylamino)-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661065
5-(2,6-Dimethylmorpholin-4-yl)-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661188
5-(3-Morpholin-4-ylpropylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 1979183
5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile
CID 2941904
5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile
CID 385626

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 892464) is 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1NCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is OCKMFZJZKPBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c14-7-10-12(15-8-9-3-1-5-17-9)18-13(16-10)11-4-2-6-19-11/h1-6,15H,8H2.
What are the key properties of 5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 271.30 g/mol, XLogP of 3.48, 4 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-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).