5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

C19H12N4O5S — CID 146021877

IUPAC5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESO=C1COc2ccc(-c3csc(NC(=O)c4cc(-c5ccco5)on4)n3)cc2N1
InChIInChI=1S/C19H12N4O5S/c24-17-8-27-14-4-3-10(6-11(14)20-17)13-9-29-19(21-13)22-18(25)12-7-16(28-23-12)15-2-1-5-26-15/h1-7,9H,8H2,(H,20,24)(H,21,22,25)
InChIKeyOMOFDHDTNCQOBS-UHFFFAOYSA-N
MW408.40 g/mol
LogP3.64
Rot. Bonds4

About 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146021877) has the molecular formula C19H12N4O5S and a molecular weight of 408.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID146021877
Molecular FormulaC19H12N4O5S
Molecular Weight408.40 g/mol
Exact Mass408.05
IUPAC Name5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESO=C1COc2ccc(-c3csc(NC(=O)c4cc(-c5ccco5)on4)n3)cc2N1
InChIInChI=1S/C19H12N4O5S/c24-17-8-27-14-4-3-10(6-11(14)20-17)13-9-29-19(21-13)22-18(25)12-7-16(28-23-12)15-2-1-5-26-15/h1-7,9H,8H2,(H,20,24)(H,21,22,25)
InChIKeyOMOFDHDTNCQOBS-UHFFFAOYSA-N
XLogP3.64
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 146021877) is 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is O=C1COc2ccc(-c3csc(NC(=O)c4cc(-c5ccco5)on4)n3)cc2N1.
What is the InChIKey of 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OMOFDHDTNCQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O5S/c24-17-8-27-14-4-3-10(6-11(14)20-17)13-9-29-19(21-13)22-18(25)12-7-16(28-23-12)15-2-1-5-26-15/h1-7,9H,8H2,(H,20,24)(H,21,22,25).
What are the key properties of 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 408.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146021877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).