5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile

C20H26N4O3 — CID 98207166

IUPAC5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile
SMILESCCCCCCCc1nc(C#N)c(N/N=C\c2ccc(OC)cc2OC)o1
InChIInChI=1S/C20H26N4O3/c1-4-5-6-7-8-9-19-23-17(13-21)20(27-19)24-22-14-15-10-11-16(25-2)12-18(15)26-3/h10-12,14,24H,4-9H2,1-3H3/b22-14-
InChIKeyPKDUMOANMGCWLV-HMAPJEAMSA-N
MW370.45 g/mol
LogP4.52
Rot. Bonds11

About 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile

5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile (PubChem CID 98207166) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile
PubChem CID98207166
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile
SMILESCCCCCCCc1nc(C#N)c(N/N=C\c2ccc(OC)cc2OC)o1
InChIInChI=1S/C20H26N4O3/c1-4-5-6-7-8-9-19-23-17(13-21)20(27-19)24-22-14-15-10-11-16(25-2)12-18(15)26-3/h10-12,14,24H,4-9H2,1-3H3/b22-14-
InChIKeyPKDUMOANMGCWLV-HMAPJEAMSA-N
XLogP4.52
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-pentan-3-yl-1,3-oxazole-4-carbonitrile
CID 4700410
2-tert-butyl-5-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 170983631
5-[2-[(2-butoxyphenyl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 4502261
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348
2-ethyl-5-[(2E)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 44615473
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
5-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
CID 45142572
5-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 4067821
5-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 6130106
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 6901787
5-[(2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 135585593

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile (CID 98207166) is 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile is CCCCCCCc1nc(C#N)c(N/N=C\c2ccc(OC)cc2OC)o1.
What is the InChIKey of 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile?
The InChIKey is PKDUMOANMGCWLV-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-5-6-7-8-9-19-23-17(13-21)20(27-19)24-22-14-15-10-11-16(25-2)12-18(15)26-3/h10-12,14,24H,4-9H2,1-3H3/b22-14-.
What are the key properties of 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile?
5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile has a molecular weight of 370.45 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-heptyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 98207166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).