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

C19H18FN5O2 — CID 91893771

IUPAC6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1nnn2c1COC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H18FN5O2/c20-14-6-4-13(5-7-14)17-11-25-16(12-27-17)18(23-24-25)19(26)22-10-8-15-3-1-2-9-21-15/h1-7,9,17H,8,10-12H2,(H,22,26)
InChIKeyIDXOGTFGIBNRPZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.06
Rot. Bonds5

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

6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 91893771) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID91893771
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1nnn2c1COC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H18FN5O2/c20-14-6-4-13(5-7-14)17-11-25-16(12-27-17)18(23-24-25)19(26)22-10-8-15-3-1-2-9-21-15/h1-7,9,17H,8,10-12H2,(H,22,26)
InChIKeyIDXOGTFGIBNRPZ-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127930
6-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893742
(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126839
(6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126247
(6R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127272
(6R)-N-(2-ethoxyphenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127474
(6R)-6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128423
N-[(2,4-difluorophenyl)methyl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890896
(6R)-N-[(3-bromophenyl)methyl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127745
(6S)-N-[(3-bromophenyl)methyl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127746
6-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 87053961
6-(4-bromophenyl)-N-(3-phenylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 87053955

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 91893771) is 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is O=C(NCCc1ccccn1)c1nnn2c1COC(c1ccc(F)cc1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is IDXOGTFGIBNRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-6-4-13(5-7-14)17-11-25-16(12-27-17)18(23-24-25)19(26)22-10-8-15-3-1-2-9-21-15/h1-7,9,17H,8,10-12H2,(H,22,26).
What are the key properties of 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 91893771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).