5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

C16H17N3O2 — CID 6305743

IUPAC5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
SMILESCOCCCNc1oc(/C=C/c2ccccc2)nc1C#N
InChIInChI=1S/C16H17N3O2/c1-20-11-5-10-18-16-14(12-17)19-15(21-16)9-8-13-6-3-2-4-7-13/h2-4,6-9,18H,5,10-11H2,1H3/b9-8+
InChIKeyFZMYIFZPRCROKS-CMDGGOBGSA-N
MW283.33 g/mol
LogP3.17
Rot. Bonds7

About 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 6305743) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID6305743
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
SMILESCOCCCNc1oc(/C=C/c2ccccc2)nc1C#N
InChIInChI=1S/C16H17N3O2/c1-20-11-5-10-18-16-14(12-17)19-15(21-16)9-8-13-6-3-2-4-7-13/h2-4,6-9,18H,5,10-11H2,1H3/b9-8+
InChIKeyFZMYIFZPRCROKS-CMDGGOBGSA-N
XLogP3.17
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile (CID 6305743) is 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is COCCCNc1oc(/C=C/c2ccccc2)nc1C#N.
What is the InChIKey of 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is FZMYIFZPRCROKS-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-11-5-10-18-16-14(12-17)19-15(21-16)9-8-13-6-3-2-4-7-13/h2-4,6-9,18H,5,10-11H2,1H3/b9-8+.
What are the key properties of 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6305743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).