5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid

C16H13N3O3 — CID 66643535

IUPAC5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1onc(-c2ccccc2)c1/C=C\c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C16H13N3O3/c1-10-13(8-7-12-9-14(16(20)21)18-17-12)15(19-22-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,20,21)/b8-7-
InChIKeyPRPDVIZXWCPNEU-FPLPWBNLSA-N
MW295.30 g/mol
LogP3.24
Rot. Bonds4

About 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid

5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 66643535) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid
PubChem CID66643535
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1onc(-c2ccccc2)c1/C=C\c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C16H13N3O3/c1-10-13(8-7-12-9-14(16(20)21)18-17-12)15(19-22-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,20,21)/b8-7-
InChIKeyPRPDVIZXWCPNEU-FPLPWBNLSA-N
XLogP3.24
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid (CID 66643535) is 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid is Cc1onc(-c2ccccc2)c1/C=C\c1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is PRPDVIZXWCPNEU-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-13(8-7-12-9-14(16(20)21)18-17-12)15(19-22-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,20,21)/b8-7-.
What are the key properties of 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid?
5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 66643535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).