5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

C18H15N3O2 — CID 664129

IUPAC5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N
InChIInChI=1S/C18H15N3O2/c1-20-18-16(11-19)21-17(23-18)14-7-9-15(10-8-14)22-12-13-5-3-2-4-6-13/h2-10,20H,12H2,1H3
InChIKeyZKWCKRKUUTZMLC-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.83
Rot. Bonds5

About 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 664129) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID664129
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N
InChIInChI=1S/C18H15N3O2/c1-20-18-16(11-19)21-17(23-18)14-7-9-15(10-8-14)22-12-13-5-3-2-4-6-13/h2-10,20H,12H2,1H3
InChIKeyZKWCKRKUUTZMLC-UHFFFAOYSA-N
XLogP3.83
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 664129) is 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile is CNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N.
What is the InChIKey of 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is ZKWCKRKUUTZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-20-18-16(11-19)21-17(23-18)14-7-9-15(10-8-14)22-12-13-5-3-2-4-6-13/h2-10,20H,12H2,1H3.
What are the key properties of 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).