5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide

C13H14N4O3 — CID 129417338

IUPAC5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)no1
InChIInChI=1S/C13H14N4O3/c1-7-4-11(17-20-7)13(19)14-9-2-3-10-8(5-9)6-12(18)16-15-10/h4,6,9H,2-3,5H2,1H3,(H,14,19)(H,16,18)/t9-/m1/s1
InChIKeyNPIFUQLMKHDKEZ-SECBINFHSA-N
MW274.28 g/mol
LogP0.35
Rot. Bonds2

About 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide (PubChem CID 129417338) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide
PubChem CID129417338
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)no1
InChIInChI=1S/C13H14N4O3/c1-7-4-11(17-20-7)13(19)14-9-2-3-10-8(5-9)6-12(18)16-15-10/h4,6,9H,2-3,5H2,1H3,(H,14,19)(H,16,18)/t9-/m1/s1
InChIKeyNPIFUQLMKHDKEZ-SECBINFHSA-N
XLogP0.35
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide (CID 129417338) is 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)no1.
What is the InChIKey of 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NPIFUQLMKHDKEZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-4-11(17-20-7)13(19)14-9-2-3-10-8(5-9)6-12(18)16-15-10/h4,6,9H,2-3,5H2,1H3,(H,14,19)(H,16,18)/t9-/m1/s1.
What are the key properties of 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129417338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).