1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C11H17N3O3S — CID 5008650

IUPAC1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC(C)c1nnc(SCC(=O)N2CCOCC2)o1
InChIInChI=1S/C11H17N3O3S/c1-8(2)10-12-13-11(17-10)18-7-9(15)14-3-5-16-6-4-14/h8H,3-7H2,1-2H3
InChIKeyIYSVXBDELXQZAC-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.14
Rot. Bonds4

About 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 5008650) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID5008650
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC(C)c1nnc(SCC(=O)N2CCOCC2)o1
InChIInChI=1S/C11H17N3O3S/c1-8(2)10-12-13-11(17-10)18-7-9(15)14-3-5-16-6-4-14/h8H,3-7H2,1-2H3
InChIKeyIYSVXBDELXQZAC-UHFFFAOYSA-N
XLogP1.14
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1084437
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155800
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3525490
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 866855
2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 1151484
2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 649256
2-[[5-[(4-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 1151505
N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205201
2-[[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155880
2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155879
ethyl 4-[2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 17481166
1-[(4R)-4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 97139460

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 5008650) is 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CC(C)c1nnc(SCC(=O)N2CCOCC2)o1.
What is the InChIKey of 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is IYSVXBDELXQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(2)10-12-13-11(17-10)18-7-9(15)14-3-5-16-6-4-14/h8H,3-7H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 271.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 5008650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).