(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine

C16H18N4O2S — CID 95277466

IUPAC(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
SMILESc1csc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)co2)c1
InChIInChI=1S/C16H18N4O2S/c1-3-15(23-8-1)16-18-13(12-22-16)9-19-6-7-21-14(10-19)11-20-5-2-4-17-20/h1-5,8,12,14H,6-7,9-11H2/t14-/m0/s1
InChIKeyFRRMGNMRSTYZHD-AWEZNQCLSA-N
MW330.41 g/mol
LogP2.50
Rot. Bonds5

About (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine

(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine (PubChem CID 95277466) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
PubChem CID95277466
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
SMILESc1csc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)co2)c1
InChIInChI=1S/C16H18N4O2S/c1-3-15(23-8-1)16-18-13(12-22-16)9-19-6-7-21-14(10-19)11-20-5-2-4-17-20/h1-5,8,12,14H,6-7,9-11H2/t14-/m0/s1
InChIKeyFRRMGNMRSTYZHD-AWEZNQCLSA-N
XLogP2.50
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283755
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 81458720
(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905
N-ethyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95279235
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
N,N-dimethyl-2-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95277424
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine (CID 95277466) is (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine is c1csc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)co2)c1.
What is the InChIKey of (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine?
The InChIKey is FRRMGNMRSTYZHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-15(23-8-1)16-18-13(12-22-16)9-19-6-7-21-14(10-19)11-20-5-2-4-17-20/h1-5,8,12,14H,6-7,9-11H2/t14-/m0/s1.
What are the key properties of (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine?
(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine has a molecular weight of 330.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine is sourced from PubChem (CID 95277466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).