5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile

C14H12N4O2 — CID 75363740

IUPAC5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N/N=C2/CCOc3ccccc32)o1
InChIInChI=1S/C14H12N4O2/c1-9-16-12(8-15)14(20-9)18-17-11-6-7-19-13-5-3-2-4-10(11)13/h2-5,18H,6-7H2,1H3/b17-11-
InChIKeyRPTKALYBONAYGB-BOPFTXTBSA-N
MW268.28 g/mol
LogP2.45
Rot. Bonds2

About 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile

5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile (PubChem CID 75363740) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile
PubChem CID75363740
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N/N=C2/CCOc3ccccc32)o1
InChIInChI=1S/C14H12N4O2/c1-9-16-12(8-15)14(20-9)18-17-11-6-7-19-13-5-3-2-4-10(11)13/h2-5,18H,6-7H2,1H3/b17-11-
InChIKeyRPTKALYBONAYGB-BOPFTXTBSA-N
XLogP2.45
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile (CID 75363740) is 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile is Cc1nc(C#N)c(N/N=C2/CCOc3ccccc32)o1.
What is the InChIKey of 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile?
The InChIKey is RPTKALYBONAYGB-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-16-12(8-15)14(20-9)18-17-11-6-7-19-13-5-3-2-4-10(11)13/h2-5,18H,6-7H2,1H3/b17-11-.
What are the key properties of 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile?
5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 75363740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).