(2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide

C17H19FN4O3 — CID 131661089

IUPAC(2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCCO1
InChIInChI=1S/C17H19FN4O3/c18-12-4-1-3-11(7-12)16-14-10-25-13(9-22(14)21-20-16)8-19-17(23)15-5-2-6-24-15/h1,3-4,7,13,15H,2,5-6,8-10H2,(H,19,23)/t13?,15-/m1/s1
InChIKeyWXNHPCIGYDLCPJ-AWKYBWMHSA-N
MW346.36 g/mol
LogP1.28
Rot. Bonds4

About (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide

(2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide (PubChem CID 131661089) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide
PubChem CID131661089
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCCO1
InChIInChI=1S/C17H19FN4O3/c18-12-4-1-3-11(7-12)16-14-10-25-13(9-22(14)21-20-16)8-19-17(23)15-5-2-6-24-15/h1,3-4,7,13,15H,2,5-6,8-10H2,(H,19,23)/t13?,15-/m1/s1
InChIKeyWXNHPCIGYDLCPJ-AWKYBWMHSA-N
XLogP1.28
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R,6R)-10-(2-fluorophenyl)-4-(oxan-4-yl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86295563
(2S,6S)-10-(2-fluorophenyl)-4-(oxan-4-yl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86295769
(2R,6R)-10-(2,4-difluorophenyl)-4-[2-(oxan-4-yl)ethyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86297379
(5aR,8aR)-3-(2-fluorophenyl)-4,5a,6,7,8,8a-hexahydropyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine dihydrochloride
CID 117651303
(5AR,8aR)-tert-butyl 3-(2-fluorophenyl)-5a,6,8,8a-tetrahydropyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine-7(4H)-carboxylate
CID 117651348
N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-3-methoxypropanamide
CID 118739439
2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 118739441
2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 118739442
(3-(3-Fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
CID 118739738
N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrrolidine-1-carboxamide
CID 118740836
1-cyclopropyl-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]methanamine
CID 118740985
1-(oxan-4-yl)-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]methanamine
CID 118741175

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide (CID 131661089) is (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide is O=C(NCC1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide?
The InChIKey is WXNHPCIGYDLCPJ-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-12-4-1-3-11(7-12)16-14-10-25-13(9-22(14)21-20-16)8-19-17(23)15-5-2-6-24-15/h1,3-4,7,13,15H,2,5-6,8-10H2,(H,19,23)/t13?,15-/m1/s1.
What are the key properties of (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide?
(2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 131661089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).