5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C15H10ClN3O2 — CID 945133

IUPAC5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCc1ccccc1Cl
InChIInChI=1S/C15H10ClN3O2/c16-11-5-2-1-4-10(11)9-18-14-12(8-17)19-15(21-14)13-6-3-7-20-13/h1-7,18H,9H2
InChIKeyBVWALFQDVGJGJD-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.07
Rot. Bonds4

About 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 945133) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID945133
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCc1ccccc1Cl
InChIInChI=1S/C15H10ClN3O2/c16-11-5-2-1-4-10(11)9-18-14-12(8-17)19-15(21-14)13-6-3-7-20-13/h1-7,18H,9H2
InChIKeyBVWALFQDVGJGJD-UHFFFAOYSA-N
XLogP4.07
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 945133) is 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1NCc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is BVWALFQDVGJGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-5-2-1-4-10(11)9-18-14-12(8-17)19-15(21-14)13-6-3-7-20-13/h1-7,18H,9H2.
What are the key properties of 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 299.72 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 945133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).