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

C14H15FN4O2 — CID 134571291

IUPAC8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)CCOC2c1ccccc1F
InChIInChI=1S/C14H15FN4O2/c1-18(2)14(20)12-16-13-11(21-8-7-19(13)17-12)9-5-3-4-6-10(9)15/h3-6,11H,7-8H2,1-2H3
InChIKeyCTEHPZRCPFAVKO-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.24
Rot. Bonds2

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

8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 134571291) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID134571291
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)CCOC2c1ccccc1F
InChIInChI=1S/C14H15FN4O2/c1-18(2)14(20)12-16-13-11(21-8-7-19(13)17-12)9-5-3-4-6-10(9)15/h3-6,11H,7-8H2,1-2H3
InChIKeyCTEHPZRCPFAVKO-UHFFFAOYSA-N
XLogP1.24
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 134571291) is 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide is CN(C)C(=O)c1nc2n(n1)CCOC2c1ccccc1F.
What is the InChIKey of 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is CTEHPZRCPFAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-18(2)14(20)12-16-13-11(21-8-7-19(13)17-12)9-5-3-4-6-10(9)15/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide?
8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 134571291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).