(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine

C17H20N4O2S — CID 95285530

IUPAC(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CN(Cc3cc(-c4cccs4)on3)CCO2)c1
InChIInChI=1S/C17H20N4O2S/c1-13-8-18-21(9-13)12-15-11-20(4-5-22-15)10-14-7-16(23-19-14)17-3-2-6-24-17/h2-3,6-9,15H,4-5,10-12H2,1H3/t15-/m0/s1
InChIKeySUYXNDVTMVUMEZ-HNNXBMFYSA-N
MW344.44 g/mol
LogP2.81
Rot. Bonds5

About (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine

(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine (PubChem CID 95285530) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
PubChem CID95285530
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CN(Cc3cc(-c4cccs4)on3)CCO2)c1
InChIInChI=1S/C17H20N4O2S/c1-13-8-18-21(9-13)12-15-11-20(4-5-22-15)10-14-7-16(23-19-14)17-3-2-6-24-17/h2-3,6-9,15H,4-5,10-12H2,1H3/t15-/m0/s1
InChIKeySUYXNDVTMVUMEZ-HNNXBMFYSA-N
XLogP2.81
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine with MolForge

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Related Compounds

(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 94530936
(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95285694
(2S)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95290733
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine
CID 95285743
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95305458
N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95285121
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86895521
(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 95277466
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine (CID 95285530) is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine is Cc1cnn(C[C@@H]2CN(Cc3cc(-c4cccs4)on3)CCO2)c1.
What is the InChIKey of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine?
The InChIKey is SUYXNDVTMVUMEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-8-18-21(9-13)12-15-11-20(4-5-22-15)10-14-7-16(23-19-14)17-3-2-6-24-17/h2-3,6-9,15H,4-5,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine?
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine has a molecular weight of 344.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine is sourced from PubChem (CID 95285530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).