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

C16H19N5O2S — CID 95345825

IUPAC(2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCc1oc(-c2ccsc2)nc1CN1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C16H19N5O2S/c1-12-15(19-16(23-12)13-2-5-24-9-13)8-20-3-4-22-14(6-20)7-21-11-17-10-18-21/h2,5,9-11,14H,3-4,6-8H2,1H3/t14-/m0/s1
InChIKeyUZQLYRVPFASMNJ-AWEZNQCLSA-N
MW345.43 g/mol
LogP2.20
Rot. Bonds5

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

(2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 95345825) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID95345825
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name(2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCc1oc(-c2ccsc2)nc1CN1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C16H19N5O2S/c1-12-15(19-16(23-12)13-2-5-24-9-13)8-20-3-4-22-14(6-20)7-21-11-17-10-18-21/h2,5,9-11,14H,3-4,6-8H2,1H3/t14-/m0/s1
InChIKeyUZQLYRVPFASMNJ-AWEZNQCLSA-N
XLogP2.20
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279165
5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 95341635
(2S)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95329746
(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
(2R)-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350971
4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
CID 86796826
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 56802768
(2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95610072
(2R)-4-(1,3-benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978871
4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 154748031
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 95345825) is (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is Cc1oc(-c2ccsc2)nc1CN1CCO[C@H](Cn2cncn2)C1.
What is the InChIKey of (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is UZQLYRVPFASMNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-12-15(19-16(23-12)13-2-5-24-9-13)8-20-3-4-22-14(6-20)7-21-11-17-10-18-21/h2,5,9-11,14H,3-4,6-8H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 345.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95345825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).