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

C15H10ClN3O2 — CID 741269

IUPAC2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-19-13(8-17)15(21-14)18-9-12-2-1-7-20-12/h1-7,18H,9H2
InChIKeyUOYKMFLWSMZYJW-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.07
Rot. Bonds4

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

2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 741269) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID741269
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-19-13(8-17)15(21-14)18-9-12-2-1-7-20-12/h1-7,18H,9H2
InChIKeyUOYKMFLWSMZYJW-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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Related Compounds

2-(4-Methylphenyl)-5-[(tetrahydrofuran-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 3146502
2-(4-Fluorophenyl)-5-[(furan-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 854897
5-(2-Furanylmethylamino)-2-(3-methylphenyl)-4-oxazolecarbonitrile
CID 940115
5-[(Oxolan-2-ylmethyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 2910437
2-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
CID 663459
2-(4-Ethoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 1984543
2-(4-Methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2941177
2-(3,4-Dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 70701465
2-[4-[(4-Chlorophenyl)methyl-methylamino]phenyl]-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile
CID 162659800
5-[(Furan-2-ylmethyl)-amino]-2-p-tolyloxymethyl-oxazole-4-carbonitrile
CID 649571
2-(4-Fluorophenyl)-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile
CID 661012
2-(4-Chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 661037

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 741269) is 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is UOYKMFLWSMZYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-19-13(8-17)15(21-14)18-9-12-2-1-7-20-12/h1-7,18H,9H2.
What are the key properties of 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-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 2-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 741269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).