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

C19H25N5O3 — CID 91893831

IUPAC6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCOc1ccc(C2Cn3nnc(C(=O)NC4CCN(C)CC4)c3CO2)cc1
InChIInChI=1S/C19H25N5O3/c1-23-9-7-14(8-10-23)20-19(25)18-16-12-27-17(11-24(16)22-21-18)13-3-5-15(26-2)6-4-13/h3-6,14,17H,7-12H2,1-2H3,(H,20,25)
InChIKeyUHJGQMVYDNSQEY-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.38
Rot. Bonds4

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

6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 91893831) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID91893831
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCOc1ccc(C2Cn3nnc(C(=O)NC4CCN(C)CC4)c3CO2)cc1
InChIInChI=1S/C19H25N5O3/c1-23-9-7-14(8-10-23)20-19(25)18-16-12-27-17(11-24(16)22-21-18)13-3-5-15(26-2)6-4-13/h3-6,14,17H,7-12H2,1-2H3,(H,20,25)
InChIKeyUHJGQMVYDNSQEY-UHFFFAOYSA-N
XLogP1.38
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 125127323
6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893778
6-(4-methoxyphenyl)-N-(2-methylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893815
(6S)-6-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127105
(6R)-N-(4-bromophenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127284
N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890824
6-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893836
(6R)-N-(4-methoxyphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128122
1-[4-[(6S)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]ethanone
CID 125127758
(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
(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126839

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 91893831) is 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is COc1ccc(C2Cn3nnc(C(=O)NC4CCN(C)CC4)c3CO2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is UHJGQMVYDNSQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23-9-7-14(8-10-23)20-19(25)18-16-12-27-17(11-24(16)22-21-18)13-3-5-15(26-2)6-4-13/h3-6,14,17H,7-12H2,1-2H3,(H,20,25).
What are the key properties of 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 91893831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).