N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C21H22N4O3 — CID 91890824

IUPACN-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCOc1ccc(C2Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3CO2)cc1
InChIInChI=1S/C21H22N4O3/c1-13-4-9-17(14(2)10-13)22-21(26)20-18-12-28-19(11-25(18)24-23-20)15-5-7-16(27-3)8-6-15/h4-10,19H,11-12H2,1-3H3,(H,22,26)
InChIKeyWLRYOZCJZLKHRT-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.43
Rot. Bonds4

About N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 91890824) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID91890824
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCOc1ccc(C2Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3CO2)cc1
InChIInChI=1S/C21H22N4O3/c1-13-4-9-17(14(2)10-13)22-21(26)20-18-12-28-19(11-25(18)24-23-20)15-5-7-16(27-3)8-6-15/h4-10,19H,11-12H2,1-3H3,(H,22,26)
InChIKeyWLRYOZCJZLKHRT-UHFFFAOYSA-N
XLogP3.43
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-N-(2-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126536
(6S)-N-(2,3-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127237
(6R)-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127659
(6S)-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127658
N-(2,5-difluorophenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890837
N-(4-bromo-3-methylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890849
(6R)-N-(3-fluoro-2-methylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125125872
(6R)-N-(4-methoxyphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128122
N-(4-bromo-2-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890807
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]methanone
CID 91890756
6-(4-methoxyphenyl)-N-(2-methylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893815
6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893831

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 91890824) is N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is COc1ccc(C2Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3CO2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is WLRYOZCJZLKHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-4-9-17(14(2)10-13)22-21(26)20-18-12-28-19(11-25(18)24-23-20)15-5-7-16(27-3)8-6-15/h4-10,19H,11-12H2,1-3H3,(H,22,26).
What are the key properties of N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 91890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).