5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile

C18H16N4O3 — CID 6129832

IUPAC5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCc1ccc2occ(/C=N\Nc3oc(C(C)C)nc3C#N)c(=O)c2c1
InChIInChI=1S/C18H16N4O3/c1-10(2)17-21-14(7-19)18(25-17)22-20-8-12-9-24-15-5-4-11(3)6-13(15)16(12)23/h4-6,8-10,22H,1-3H3/b20-8-
InChIKeyORRAMWXMBBKTGJ-ZBKNUEDVSA-N
MW336.35 g/mol
LogP3.53
Rot. Bonds4

About 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile

5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 6129832) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID6129832
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCc1ccc2occ(/C=N\Nc3oc(C(C)C)nc3C#N)c(=O)c2c1
InChIInChI=1S/C18H16N4O3/c1-10(2)17-21-14(7-19)18(25-17)22-20-8-12-9-24-15-5-4-11(3)6-13(15)16(12)23/h4-6,8-10,22H,1-3H3/b20-8-
InChIKeyORRAMWXMBBKTGJ-ZBKNUEDVSA-N
XLogP3.53
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile (CID 6129832) is 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile is Cc1ccc2occ(/C=N\Nc3oc(C(C)C)nc3C#N)c(=O)c2c1.
What is the InChIKey of 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is ORRAMWXMBBKTGJ-ZBKNUEDVSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-10(2)17-21-14(7-19)18(25-17)22-20-8-12-9-24-15-5-4-11(3)6-13(15)16(12)23/h4-6,8-10,22H,1-3H3/b20-8-.
What are the key properties of 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 336.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6129832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).