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

C18H17N3O3 — CID 16958067

IUPAC5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)C)o3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-4-6-13(7-5-12)22-11-14-8-9-16(23-14)17-20-15(10-19)18(24-17)21(2)3/h4-9H,11H2,1-3H3
InChIKeyYGAMVVAUCPZNOL-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.76
Rot. Bonds5

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

5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 16958067) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
PubChem CID16958067
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)C)o3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-4-6-13(7-5-12)22-11-14-8-9-16(23-14)17-20-15(10-19)18(24-17)21(2)3/h4-9H,11H2,1-3H3
InChIKeyYGAMVVAUCPZNOL-UHFFFAOYSA-N
XLogP3.76
TPSA75.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (CID 16958067) is 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is Cc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)C)o3)o2)cc1.
What is the InChIKey of 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is YGAMVVAUCPZNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-4-6-13(7-5-12)22-11-14-8-9-16(23-14)17-20-15(10-19)18(24-17)21(2)3/h4-9H,11H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 323.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16958067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).