N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C16H21N3O4S — CID 164880413

IUPACN-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCOC1(OC)CCC(c2cnc(NC(=O)Cc3cc(C)no3)s2)C1
InChIInChI=1S/C16H21N3O4S/c1-10-6-12(23-19-10)7-14(20)18-15-17-9-13(24-15)11-4-5-16(8-11,21-2)22-3/h6,9,11H,4-5,7-8H2,1-3H3,(H,17,18,20)
InChIKeyAIUPJFPNBWBGAZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.88
Rot. Bonds6

About N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 164880413) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID164880413
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCOC1(OC)CCC(c2cnc(NC(=O)Cc3cc(C)no3)s2)C1
InChIInChI=1S/C16H21N3O4S/c1-10-6-12(23-19-10)7-14(20)18-15-17-9-13(24-15)11-4-5-16(8-11,21-2)22-3/h6,9,11H,4-5,7-8H2,1-3H3,(H,17,18,20)
InChIKeyAIUPJFPNBWBGAZ-UHFFFAOYSA-N
XLogP2.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 164880413) is N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is COC1(OC)CCC(c2cnc(NC(=O)Cc3cc(C)no3)s2)C1.
What is the InChIKey of N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is AIUPJFPNBWBGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-10-6-12(23-19-10)7-14(20)18-15-17-9-13(24-15)11-4-5-16(8-11,21-2)22-3/h6,9,11H,4-5,7-8H2,1-3H3,(H,17,18,20).
What are the key properties of N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-dimethoxycyclopentyl)-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 164880413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).