[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

C12H18N4O3S — CID 146078304

IUPAC[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2nnco2)CCO1)N1CCSCC1
InChIInChI=1S/C12H18N4O3S/c17-12(16-2-5-20-6-3-16)10-7-15(1-4-18-10)8-11-14-13-9-19-11/h9-10H,1-8H2
InChIKeyNAXXSFDTRTWWDW-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.15
Rot. Bonds3

About [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 146078304) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID146078304
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2nnco2)CCO1)N1CCSCC1
InChIInChI=1S/C12H18N4O3S/c17-12(16-2-5-20-6-3-16)10-7-15(1-4-18-10)8-11-14-13-9-19-11/h9-10H,1-8H2
InChIKeyNAXXSFDTRTWWDW-UHFFFAOYSA-N
XLogP-0.15
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078396
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
CID 146078359
[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078593
[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146077909
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146078314
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981120
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146079568
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
N-(oxolan-2-ylmethyl)-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 163345285
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 146078304) is [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is O=C(C1CN(Cc2nnco2)CCO1)N1CCSCC1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is NAXXSFDTRTWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c17-12(16-2-5-20-6-3-16)10-7-15(1-4-18-10)8-11-14-13-9-19-11/h9-10H,1-8H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 298.37 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 146078304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).