2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole

C15H16N4O2 — CID 95277594

IUPAC2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCO[C@@H](Cn4cccn4)C3)nc2c1
InChIInChI=1S/C15H16N4O2/c1-2-5-14-13(4-1)17-15(21-14)18-8-9-20-12(10-18)11-19-7-3-6-16-19/h1-7,12H,8-11H2/t12-/m1/s1
InChIKeyIDCVERMKWAIVBP-GFCCVEGCSA-N
MW284.32 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole

2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole (PubChem CID 95277594) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole
PubChem CID95277594
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCO[C@@H](Cn4cccn4)C3)nc2c1
InChIInChI=1S/C15H16N4O2/c1-2-5-14-13(4-1)17-15(21-14)18-8-9-20-12(10-18)11-19-7-3-6-16-19/h1-7,12H,8-11H2/t12-/m1/s1
InChIKeyIDCVERMKWAIVBP-GFCCVEGCSA-N
XLogP1.93
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]methanamine
CID 61338953
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
4-(1H-benzimidazol-2-ylmethyl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane
CID 77083956
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 127418050
N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine
CID 95286452
2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
CID 95278458
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole (CID 95277594) is 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole is c1ccc2oc(N3CCO[C@@H](Cn4cccn4)C3)nc2c1.
What is the InChIKey of 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole?
The InChIKey is IDCVERMKWAIVBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-5-14-13(4-1)17-15(21-14)18-8-9-20-12(10-18)11-19-7-3-6-16-19/h1-7,12H,8-11H2/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole?
2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole has a molecular weight of 284.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 95277594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).