[2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C14H18N4O3S — CID 124744411

IUPAC[2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CCOC[C@H]2c2ncon2)cs1
InChIInChI=1S/C14H18N4O3S/c1-9(2)5-12-16-10(7-22-12)14(19)18-3-4-20-6-11(18)13-15-8-21-17-13/h7-9,11H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyZXTMKPUUWFIZKU-NSHDSACASA-N
MW322.39 g/mol
LogP1.94
Rot. Bonds4

About [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

[2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 124744411) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID124744411
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name[2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CCOC[C@H]2c2ncon2)cs1
InChIInChI=1S/C14H18N4O3S/c1-9(2)5-12-16-10(7-22-12)14(19)18-3-4-20-6-11(18)13-15-8-21-17-13/h7-9,11H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyZXTMKPUUWFIZKU-NSHDSACASA-N
XLogP1.94
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 124744411) is [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is CC(C)Cc1nc(C(=O)N2CCOC[C@H]2c2ncon2)cs1.
What is the InChIKey of [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is ZXTMKPUUWFIZKU-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(2)5-12-16-10(7-22-12)14(19)18-3-4-20-6-11(18)13-15-8-21-17-13/h7-9,11H,3-6H2,1-2H3/t11-/m0/s1.
What are the key properties of [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
[2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 322.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124744411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).