(5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C21H17N3O3 — CID 2799337

IUPAC(5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1cc(OC(=O)c2c(-c3ccccc3)noc2C)n(-c2ccccc2)n1
InChIInChI=1S/C21H17N3O3/c1-14-13-18(24(22-14)17-11-7-4-8-12-17)26-21(25)19-15(2)27-23-20(19)16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKeyPFXIDPZFJYHAFL-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.36
Rot. Bonds4

About (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

(5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2799337) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2799337
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name(5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1cc(OC(=O)c2c(-c3ccccc3)noc2C)n(-c2ccccc2)n1
InChIInChI=1S/C21H17N3O3/c1-14-13-18(24(22-14)17-11-7-4-8-12-17)26-21(25)19-15(2)27-23-20(19)16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKeyPFXIDPZFJYHAFL-UHFFFAOYSA-N
XLogP4.36
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2799337) is (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1cc(OC(=O)c2c(-c3ccccc3)noc2C)n(-c2ccccc2)n1.
What is the InChIKey of (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is PFXIDPZFJYHAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-13-18(24(22-14)17-11-7-4-8-12-17)26-21(25)19-15(2)27-23-20(19)16-9-5-3-6-10-16/h3-13H,1-2H3.
What are the key properties of (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
(5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylpyrazol-3-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2799337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).