N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C17H19N5O3 — CID 86822485

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCc1nc(CNC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)oc1C
InChIInChI=1S/C17H19N5O3/c1-10-12(3)25-14(19-10)9-18-16(23)15-20-11(2)17(24)22(21-15)13-7-5-4-6-8-13/h4-8,11H,9H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyVQRFUMCQZBFDLD-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.25
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 86822485) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID86822485
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCc1nc(CNC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)oc1C
InChIInChI=1S/C17H19N5O3/c1-10-12(3)25-14(19-10)9-18-16(23)15-20-11(2)17(24)22(21-15)13-7-5-4-6-8-13/h4-8,11H,9H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyVQRFUMCQZBFDLD-UHFFFAOYSA-N
XLogP1.25
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 86822485) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is Cc1nc(CNC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is VQRFUMCQZBFDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-12(3)25-14(19-10)9-18-16(23)15-20-11(2)17(24)22(21-15)13-7-5-4-6-8-13/h4-8,11H,9H2,1-3H3,(H,18,23)(H,20,21).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 86822485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).