N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide

C16H19FN4O2 — CID 134571295

IUPACN,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCCN(CC)C(=O)c1nc2n(n1)CCOC2c1ccccc1F
InChIInChI=1S/C16H19FN4O2/c1-3-20(4-2)16(22)14-18-15-13(23-10-9-21(15)19-14)11-7-5-6-8-12(11)17/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyLYVMWRHJWXVVOO-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.02
Rot. Bonds4

About N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide

N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 134571295) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID134571295
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCCN(CC)C(=O)c1nc2n(n1)CCOC2c1ccccc1F
InChIInChI=1S/C16H19FN4O2/c1-3-20(4-2)16(22)14-18-15-13(23-10-9-21(15)19-14)11-7-5-6-8-12(11)17/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyLYVMWRHJWXVVOO-UHFFFAOYSA-N
XLogP2.02
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 134571295) is N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide is CCN(CC)C(=O)c1nc2n(n1)CCOC2c1ccccc1F.
What is the InChIKey of N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is LYVMWRHJWXVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-3-20(4-2)16(22)14-18-15-13(23-10-9-21(15)19-14)11-7-5-6-8-12(11)17/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 134571295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).