(6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C19H16F2N4O2 — CID 125126540

IUPAC(6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1F
InChIInChI=1S/C19H16F2N4O2/c1-11-2-7-14(8-15(11)21)22-19(26)18-16-10-27-17(9-25(16)24-23-18)12-3-5-13(20)6-4-12/h2-8,17H,9-10H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyGZIGHUPOQRULNJ-QGZVFWFLSA-N
MW370.36 g/mol
LogP3.39
Rot. Bonds3

About (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

(6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 125126540) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID125126540
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name(6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1F
InChIInChI=1S/C19H16F2N4O2/c1-11-2-7-14(8-15(11)21)22-19(26)18-16-10-27-17(9-25(16)24-23-18)12-3-5-13(20)6-4-12/h2-8,17H,9-10H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyGZIGHUPOQRULNJ-QGZVFWFLSA-N
XLogP3.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-N,6-bis(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893757
(6R)-N-(4-ethylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127765
(6R)-6-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127480
N-(4-bromo-2-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890807
(6R)-N-(2,3-dimethylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128897
N-(2,3-dimethylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890785
(6R)-N-(3-fluorophenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127327
N-(3-fluoro-4-methylphenyl)-1-[6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 87053786
(6R)-N-(4-acetamidophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127365
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-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128243

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 125126540) is (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is Cc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1F.
What is the InChIKey of (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is GZIGHUPOQRULNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-11-2-7-14(8-15(11)21)22-19(26)18-16-10-27-17(9-25(16)24-23-18)12-3-5-13(20)6-4-12/h2-8,17H,9-10H2,1H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
(6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 125126540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).