(1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol

C18H20FN5O2 — CID 170973368

IUPAC(1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1-c1nn(C)nc1Cc1cc2n(n1)COCC2
InChIInChI=1S/C18H20FN5O2/c1-11(25)15-4-3-12(19)7-16(15)18-17(21-23(2)22-18)9-13-8-14-5-6-26-10-24(14)20-13/h3-4,7-8,11,25H,5-6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyXICSRSCQIHGHFA-LLVKDONJSA-N
MW357.39 g/mol
LogP1.99
Rot. Bonds4

About (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol

(1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol (PubChem CID 170973368) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol
PubChem CID170973368
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name(1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1-c1nn(C)nc1Cc1cc2n(n1)COCC2
InChIInChI=1S/C18H20FN5O2/c1-11(25)15-4-3-12(19)7-16(15)18-17(21-23(2)22-18)9-13-8-14-5-6-26-10-24(14)20-13/h3-4,7-8,11,25H,5-6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyXICSRSCQIHGHFA-LLVKDONJSA-N
XLogP1.99
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
CID 166559916
5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethanol
CID 170973425
2-[[5-[2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-2-methyltriazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 170973414
2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol
CID 169193040
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
[(1S)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethyl] methanesulfonate
CID 176507670
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 63365946
N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine
CID 84774507
(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol
CID 79332166
1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 117121009
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82869567
(1S)-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835113

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol (CID 170973368) is (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol is C[C@@H](O)c1ccc(F)cc1-c1nn(C)nc1Cc1cc2n(n1)COCC2.
What is the InChIKey of (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol?
The InChIKey is XICSRSCQIHGHFA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-11(25)15-4-3-12(19)7-16(15)18-17(21-23(2)22-18)9-13-8-14-5-6-26-10-24(14)20-13/h3-4,7-8,11,25H,5-6,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol?
(1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol has a molecular weight of 357.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylmethyl)-2-methyltriazol-4-yl]-4-fluorophenyl]ethanol is sourced from PubChem (CID 170973368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).