5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

C18H12N6OS — CID 71952798

IUPAC5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1NN=Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H12N6OS/c19-9-15-18(25-12-20-15)22-21-10-13-11-24(14-5-2-1-3-6-14)23-17(13)16-7-4-8-26-16/h1-8,10-12,22H
InChIKeyDOEBCKOPFBKWHV-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.91
Rot. Bonds5

About 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (PubChem CID 71952798) has the molecular formula C18H12N6OS and a molecular weight of 360.40 g/mol. Its IUPAC name is 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
PubChem CID71952798
Molecular FormulaC18H12N6OS
Molecular Weight360.40 g/mol
Exact Mass360.08
IUPAC Name5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1NN=Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H12N6OS/c19-9-15-18(25-12-20-15)22-21-10-13-11-24(14-5-2-1-3-6-14)23-17(13)16-7-4-8-26-16/h1-8,10-12,22H
InChIKeyDOEBCKOPFBKWHV-UHFFFAOYSA-N
XLogP3.91
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

1-phenyl-3-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 56727062
2,4,6-trichloro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]aniline
CID 4555305
N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 1285189
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6180975
3-[(2Z)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoate
CID 7417340
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
2-bromo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 5151763
2-amino-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 21370941
1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
CID 29147920
4-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295279
1-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2391067
(E)-2-(benzenesulfonyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile
CID 34307593

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (CID 71952798) is 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is N#Cc1ncoc1NN=Cc1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is DOEBCKOPFBKWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6OS/c19-9-15-18(25-12-20-15)22-21-10-13-11-24(14-5-2-1-3-6-14)23-17(13)16-7-4-8-26-16/h1-8,10-12,22H.
What are the key properties of 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 360.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 71952798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).