N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C16H13N3O3 — CID 5309278

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)no1
InChIInChI=1S/C16H13N3O3/c1-9-8-13(18-21-9)17-16(20)14-12-7-6-10-4-2-3-5-11(10)15(12)22-19-14/h2-5,8H,6-7H2,1H3,(H,17,18,20)
InChIKeyXNCJONHIYHTQLL-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.99
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 5309278) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID5309278
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)no1
InChIInChI=1S/C16H13N3O3/c1-9-8-13(18-21-9)17-16(20)14-12-7-6-10-4-2-3-5-11(10)15(12)22-19-14/h2-5,8H,6-7H2,1H3,(H,17,18,20)
InChIKeyXNCJONHIYHTQLL-UHFFFAOYSA-N
XLogP2.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 5309278) is N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is XNCJONHIYHTQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9-8-13(18-21-9)17-16(20)14-12-7-6-10-4-2-3-5-11(10)15(12)22-19-14/h2-5,8H,6-7H2,1H3,(H,17,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 5309278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).