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

C16H18N4O2 — CID 95279147

IUPAC2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
SMILESc1ccc2oc(CN3CCO[C@@H](Cn4cccn4)C3)nc2c1
InChIInChI=1S/C16H18N4O2/c1-2-5-15-14(4-1)18-16(22-15)12-19-8-9-21-13(10-19)11-20-7-3-6-17-20/h1-7,13H,8-12H2/t13-/m1/s1
InChIKeyDGHYUKWBFABTIX-CYBMUJFWSA-N
MW298.35 g/mol
LogP1.93
Rot. Bonds4

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

2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole (PubChem CID 95279147) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
PubChem CID95279147
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
SMILESc1ccc2oc(CN3CCO[C@@H](Cn4cccn4)C3)nc2c1
InChIInChI=1S/C16H18N4O2/c1-2-5-15-14(4-1)18-16(22-15)12-19-8-9-21-13(10-19)11-20-7-3-6-17-20/h1-7,13H,8-12H2/t13-/m1/s1
InChIKeyDGHYUKWBFABTIX-CYBMUJFWSA-N
XLogP1.93
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole
CID 95277594
(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279128
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
2-[3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propyl]-1,3-benzoxazole
CID 95347991
2-[3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propyl]-1,3-benzoxazole
CID 95347992
(2R)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277664
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
4-(1H-benzimidazol-2-ylmethyl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane
CID 77083956
2-[(2-ethylmorpholin-4-yl)methyl]-1,3-benzoxazol-6-amine
CID 79994676
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 124545101

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole?
The IUPAC name of 2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole (CID 95279147) is 2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole is c1ccc2oc(CN3CCO[C@@H](Cn4cccn4)C3)nc2c1.
What is the InChIKey of 2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole?
The InChIKey is DGHYUKWBFABTIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-5-15-14(4-1)18-16(22-15)12-19-8-9-21-13(10-19)11-20-7-3-6-17-20/h1-7,13H,8-12H2/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole?
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole has a molecular weight of 298.35 g/mol, XLogP of 1.93, 4 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]methyl]-1,3-benzoxazole is sourced from PubChem (CID 95279147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).