N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide

C14H16N4O2 — CID 134571293

IUPACN,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)CCOC2c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-17(2)14(19)12-15-13-11(10-6-4-3-5-7-10)20-9-8-18(13)16-12/h3-7,11H,8-9H2,1-2H3
InChIKeyMACWRBPKHLHAAA-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.10
Rot. Bonds2

About N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide

N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 134571293) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID134571293
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)CCOC2c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-17(2)14(19)12-15-13-11(10-6-4-3-5-7-10)20-9-8-18(13)16-12/h3-7,11H,8-9H2,1-2H3
InChIKeyMACWRBPKHLHAAA-UHFFFAOYSA-N
XLogP1.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 134571293) is N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide is CN(C)C(=O)c1nc2n(n1)CCOC2c1ccccc1.
What is the InChIKey of N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is MACWRBPKHLHAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17(2)14(19)12-15-13-11(10-6-4-3-5-7-10)20-9-8-18(13)16-12/h3-7,11H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 134571293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).