5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide

C22H17N3O6 — CID 155559054

IUPAC5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)no1
InChIInChI=1S/C22H17N3O6/c1-13-9-18(25-31-13)22(28)24-15-4-2-3-14(10-15)23-21(27)12-30-16-5-6-17-19(26)7-8-29-20(17)11-16/h2-11H,12H2,1H3,(H,23,27)(H,24,28)
InChIKeyNXLSASWJJYWMJP-UHFFFAOYSA-N
MW419.39 g/mol
LogP3.36
Rot. Bonds6

About 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 155559054) has the molecular formula C22H17N3O6 and a molecular weight of 419.39 g/mol. Its IUPAC name is 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID155559054
Molecular FormulaC22H17N3O6
Molecular Weight419.39 g/mol
Exact Mass419.11
IUPAC Name5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)no1
InChIInChI=1S/C22H17N3O6/c1-13-9-18(25-31-13)22(28)24-15-4-2-3-14(10-15)23-21(27)12-30-16-5-6-17-19(26)7-8-29-20(17)11-16/h2-11H,12H2,1H3,(H,23,27)(H,24,28)
InChIKeyNXLSASWJJYWMJP-UHFFFAOYSA-N
XLogP3.36
TPSA123.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide (CID 155559054) is 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)no1.
What is the InChIKey of 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NXLSASWJJYWMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O6/c1-13-9-18(25-31-13)22(28)24-15-4-2-3-14(10-15)23-21(27)12-30-16-5-6-17-19(26)7-8-29-20(17)11-16/h2-11H,12H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 419.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155559054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).