2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

C16H12ClN3O3 — CID 5308444

IUPAC2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccco1
InChIInChI=1S/C16H12ClN3O3/c17-11-3-1-4-12(7-11)22-10-15-20-14(8-18)16(23-15)19-9-13-5-2-6-21-13/h1-7,19H,9-10H2
InChIKeyMXRFCLXXSSKTAY-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.98
Rot. Bonds6

About 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 5308444) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID5308444
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccco1
InChIInChI=1S/C16H12ClN3O3/c17-11-3-1-4-12(7-11)22-10-15-20-14(8-18)16(23-15)19-9-13-5-2-6-21-13/h1-7,19H,9-10H2
InChIKeyMXRFCLXXSSKTAY-UHFFFAOYSA-N
XLogP3.98
TPSA84.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(Furan-2-ylmethyl)-amino]-2-p-tolyloxymethyl-oxazole-4-carbonitrile
CID 649571
5-(Furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 661465
5-[4-(3-Chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 663864
2-(2-Furanyl)-5-(2-furanylmethylamino)-4-oxazolecarbonitrile
CID 664051
2-(4-Chlorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 741269
5-(Sec-butylamino)-2-(5-((4-chlorophenoxy)methyl)furan-2-yl)oxazole-4-carbonitrile
CID 16014920
2-(5-((4-Chlorophenoxy)methyl)furan-2-yl)-5-((3-methoxypropyl)amino)oxazole-4-carbonitrile
CID 16014941
2-(5-((4-Chlorophenoxy)methyl)furan-2-yl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile
CID 16014942
2-{5-[(4-Chlorophenoxy)methyl]furan-2-yl}-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 16014943
5-[(2-Chlorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 945133
2-(5-((4-Chlorophenoxy)methyl)furan-2-yl)-5-(ethylamino)oxazole-4-carbonitrile
CID 16014919
2-(2-Chloro-phenoxymethyl)-5-[(furan-2-ylmethyl)-amino]-oxazole-4-carbonitrile
CID 750996

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 5308444) is 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccco1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is MXRFCLXXSSKTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-11-3-1-4-12(7-11)22-10-15-20-14(8-18)16(23-15)19-9-13-5-2-6-21-13/h1-7,19H,9-10H2.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 329.74 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 5308444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).