3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide

C24H17N3O5 — CID 155531787

IUPAC3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide
SMILESCc1cc(-c2onc(C)c2C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)no1
InChIInChI=1S/C24H17N3O5/c1-13-10-18(27-31-13)23-22(14(2)26-32-23)24(29)25-16-8-9-20-17(11-16)19(28)12-21(30-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,25,29)
InChIKeyPIWQUIOZQYWJQX-UHFFFAOYSA-N
MW427.42 g/mol
LogP4.97
Rot. Bonds4

About 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide

3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide (PubChem CID 155531787) has the molecular formula C24H17N3O5 and a molecular weight of 427.42 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide
PubChem CID155531787
Molecular FormulaC24H17N3O5
Molecular Weight427.42 g/mol
Exact Mass427.12
IUPAC Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide
SMILESCc1cc(-c2onc(C)c2C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)no1
InChIInChI=1S/C24H17N3O5/c1-13-10-18(27-31-13)23-22(14(2)26-32-23)24(29)25-16-8-9-20-17(11-16)19(28)12-21(30-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,25,29)
InChIKeyPIWQUIOZQYWJQX-UHFFFAOYSA-N
XLogP4.97
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide (CID 155531787) is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide is Cc1cc(-c2onc(C)c2C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)no1.
What is the InChIKey of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is PIWQUIOZQYWJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O5/c1-13-10-18(27-31-13)23-22(14(2)26-32-23)24(29)25-16-8-9-20-17(11-16)19(28)12-21(30-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,25,29).
What are the key properties of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide?
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 155531787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).