2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

C20H19N3O3 — CID 16958106

IUPAC2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)c1
InChIInChI=1S/C20H19N3O3/c1-14-5-4-6-15(11-14)24-13-16-7-8-18(25-16)19-22-17(12-21)20(26-19)23-9-2-3-10-23/h4-8,11H,2-3,9-10,13H2,1H3
InChIKeyDSTQNWDMTDOEBN-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.29
Rot. Bonds5

About 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 16958106) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID16958106
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)c1
InChIInChI=1S/C20H19N3O3/c1-14-5-4-6-15(11-14)24-13-16-7-8-18(25-16)19-22-17(12-21)20(26-19)23-9-2-3-10-23/h4-8,11H,2-3,9-10,13H2,1H3
InChIKeyDSTQNWDMTDOEBN-UHFFFAOYSA-N
XLogP4.29
TPSA75.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 891985
5-[(Furan-2-ylmethyl)-amino]-2-p-tolyloxymethyl-oxazole-4-carbonitrile
CID 649571
2-(4-Ethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 661181
2-(3,4-Dimethoxyphenyl)-5-[(tetrahydrofuran-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 663381
2-[4-(Benzyloxy)phenyl]-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
CID 663563
5-[4-(Diphenylmethyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 663839
2-(Furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 663891
5-(1-Azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile
CID 664138
2-(3,4-Dimethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 664308
2-(2-Furanyl)-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile
CID 664562
5-(4-Ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 664629
2-(Furan-2-yl)-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664655

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (CID 16958106) is 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)c1.
What is the InChIKey of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is DSTQNWDMTDOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-5-4-6-15(11-14)24-13-16-7-8-18(25-16)19-22-17(12-21)20(26-19)23-9-2-3-10-23/h4-8,11H,2-3,9-10,13H2,1H3.
What are the key properties of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16958106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).