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

C15H20N4O3S — CID 129326628

IUPAC1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCc1nnc([C@@H]2COCCN2C(=O)Cc2csc(C(C)C)n2)o1
InChIInChI=1S/C15H20N4O3S/c1-9(2)15-16-11(8-23-15)6-13(20)19-4-5-21-7-12(19)14-18-17-10(3)22-14/h8-9,12H,4-7H2,1-3H3/t12-/m0/s1
InChIKeyLVRWJMRAPXUFGV-LBPRGKRZSA-N
MW336.42 g/mol
LogP2.10
Rot. Bonds4

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

1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 129326628) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID129326628
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCc1nnc([C@@H]2COCCN2C(=O)Cc2csc(C(C)C)n2)o1
InChIInChI=1S/C15H20N4O3S/c1-9(2)15-16-11(8-23-15)6-13(20)19-4-5-21-7-12(19)14-18-17-10(3)22-14/h8-9,12H,4-7H2,1-3H3/t12-/m0/s1
InChIKeyLVRWJMRAPXUFGV-LBPRGKRZSA-N
XLogP2.10
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (CID 129326628) is 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is Cc1nnc([C@@H]2COCCN2C(=O)Cc2csc(C(C)C)n2)o1.
What is the InChIKey of 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is LVRWJMRAPXUFGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9(2)15-16-11(8-23-15)6-13(20)19-4-5-21-7-12(19)14-18-17-10(3)22-14/h8-9,12H,4-7H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 336.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 129326628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).