(6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C21H21FN4O2 — CID 125128116

IUPAC(6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c1
InChIInChI=1S/C21H21FN4O2/c1-13(2)15-4-3-5-17(10-15)23-21(27)20-18-12-28-19(11-26(18)25-24-20)14-6-8-16(22)9-7-14/h3-10,13,19H,11-12H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyRTUZNEXSFYXVFT-IBGZPJMESA-N
MW380.42 g/mol
LogP4.06
Rot. Bonds4

About (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

(6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 125128116) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID125128116
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name(6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c1
InChIInChI=1S/C21H21FN4O2/c1-13(2)15-4-3-5-17(10-15)23-21(27)20-18-12-28-19(11-26(18)25-24-20)14-6-8-16(22)9-7-14/h3-10,13,19H,11-12H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyRTUZNEXSFYXVFT-IBGZPJMESA-N
XLogP4.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-6-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127480
(6R)-N,6-bis(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127408
(6R)-N-(3-fluorophenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127327
(6S)-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126540
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)-N-(2,3-dimethylphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128897
(6R)-6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128423
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-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127659
(6S)-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127658
(6R)-N-(2-ethoxyphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127474

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 125128116) is (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is CC(C)c1cccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c1.
What is the InChIKey of (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is RTUZNEXSFYXVFT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13(2)15-4-3-5-17(10-15)23-21(27)20-18-12-28-19(11-26(18)25-24-20)14-6-8-16(22)9-7-14/h3-10,13,19H,11-12H2,1-2H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
(6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-fluorophenyl)-N-(3-propan-2-ylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 125128116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).