2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone

C16H19N3O3S — CID 99699244

IUPAC2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESO=C(C[C@H]1COCCN1Cc1nnc(C2CC2)o1)c1cccs1
InChIInChI=1S/C16H19N3O3S/c20-13(14-2-1-7-23-14)8-12-10-21-6-5-19(12)9-15-17-18-16(22-15)11-3-4-11/h1-2,7,11-12H,3-6,8-10H2/t12-/m0/s1
InChIKeyOYENJSUVXUJPNM-LBPRGKRZSA-N
MW333.41 g/mol
LogP2.48
Rot. Bonds6

About 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone

2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone (PubChem CID 99699244) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
PubChem CID99699244
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESO=C(C[C@H]1COCCN1Cc1nnc(C2CC2)o1)c1cccs1
InChIInChI=1S/C16H19N3O3S/c20-13(14-2-1-7-23-14)8-12-10-21-6-5-19(12)9-15-17-18-16(22-15)11-3-4-11/h1-2,7,11-12H,3-6,8-10H2/t12-/m0/s1
InChIKeyOYENJSUVXUJPNM-LBPRGKRZSA-N
XLogP2.48
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-thiophen-2-yl-2-[4-(trimethylsilylmethyl)morpholin-3-yl]ethanone
CID 75478811
2-[(3R)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699245
2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99578863
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86803507
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86817699
2-[(3R)-4-(3-hydroxypropyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99579369
2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 119034502
2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile
CID 119034501
[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47521649
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86796926
2-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-N-phenylacetamide
CID 99699219
2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 124608812

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone (CID 99699244) is 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone is O=C(C[C@H]1COCCN1Cc1nnc(C2CC2)o1)c1cccs1.
What is the InChIKey of 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The InChIKey is OYENJSUVXUJPNM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-13(14-2-1-7-23-14)8-12-10-21-6-5-19(12)9-15-17-18-16(22-15)11-3-4-11/h1-2,7,11-12H,3-6,8-10H2/t12-/m0/s1.
What are the key properties of 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone has a molecular weight of 333.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 99699244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).