[3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C21H18N4O3 — CID 155525679

IUPAC[3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(-c2cc(N)nn2C(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H18N4O3/c1-13-19(20(24-28-13)15-6-4-3-5-7-15)21(26)25-17(12-18(22)23-25)14-8-10-16(27-2)11-9-14/h3-12H,1-2H3,(H2,22,23)
InChIKeyPICZDDYQXHMXMO-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.79
Rot. Bonds4

About [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 155525679) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID155525679
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name[3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(-c2cc(N)nn2C(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H18N4O3/c1-13-19(20(24-28-13)15-6-4-3-5-7-15)21(26)25-17(12-18(22)23-25)14-8-10-16(27-2)11-9-14/h3-12H,1-2H3,(H2,22,23)
InChIKeyPICZDDYQXHMXMO-UHFFFAOYSA-N
XLogP3.79
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 155525679) is [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is COc1ccc(-c2cc(N)nn2C(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is PICZDDYQXHMXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-19(20(24-28-13)15-6-4-3-5-7-15)21(26)25-17(12-18(22)23-25)14-8-10-16(27-2)11-9-14/h3-12H,1-2H3,(H2,22,23).
What are the key properties of [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
[3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 374.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 155525679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).