molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide

C18H19N5O2 — CID 145397671

IUPACmolecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide
SMILESCc1cc(C)n2c(n1)c(C(=O)Nc1ccc(-c3cocn3)cc1)n2C.[H][H]
InChIInChI=1S/C18H17N5O2.H2/c1-11-8-12(2)23-17(20-11)16(22(23)3)18(24)21-14-6-4-13(5-7-14)15-9-25-10-19-15;/h4-10H,1-3H3,(H,21,24);1H
InChIKeyDAUUVHGLHMXZTH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.44
Rot. Bonds3

About molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide

molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide (PubChem CID 145397671) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide
PubChem CID145397671
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Namemolecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide
SMILESCc1cc(C)n2c(n1)c(C(=O)Nc1ccc(-c3cocn3)cc1)n2C.[H][H]
InChIInChI=1S/C18H17N5O2.H2/c1-11-8-12(2)23-17(20-11)16(22(23)3)18(24)21-14-6-4-13(5-7-14)15-9-25-10-19-15;/h4-10H,1-3H3,(H,21,24);1H
InChIKeyDAUUVHGLHMXZTH-UHFFFAOYSA-N
XLogP3.44
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide with MolForge

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Related Compounds

2-bromo-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330356
3-methyl-N-[4-[2-methyl-5-(1,3-oxazol-4-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 11559715
2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122297709
N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
CID 156868242
2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 30823773
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
N-[4-(1H-imidazol-2-yl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327402
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
CID 145498614
N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide
CID 70783391
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 126816541

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide?
The IUPAC name of molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide (CID 145397671) is molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide.
What is the SMILES notation for molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide?
The canonical SMILES for molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide is Cc1cc(C)n2c(n1)c(C(=O)Nc1ccc(-c3cocn3)cc1)n2C.[H][H].
What is the InChIKey of molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide?
The InChIKey is DAUUVHGLHMXZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2.H2/c1-11-8-12(2)23-17(20-11)16(22(23)3)18(24)21-14-6-4-13(5-7-14)15-9-25-10-19-15;/h4-10H,1-3H3,(H,21,24);1H.
What are the key properties of molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide?
molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2,4,8-trimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxamide is sourced from PubChem (CID 145397671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).