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

C14H17N3O3S — CID 164880406

IUPACN-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ncc([C@H]3CC[C@@H](O)C3)s2)on1
InChIInChI=1S/C14H17N3O3S/c1-8-4-11(20-17-8)6-13(19)16-14-15-7-12(21-14)9-2-3-10(18)5-9/h4,7,9-10,18H,2-3,5-6H2,1H3,(H,15,16,19)/t9-,10+/m0/s1
InChIKeyXMCXYFHJZZZPOA-VHSXEESVSA-N
MW307.38 g/mol
LogP2.25
Rot. Bonds4

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

N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 164880406) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID164880406
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ncc([C@H]3CC[C@@H](O)C3)s2)on1
InChIInChI=1S/C14H17N3O3S/c1-8-4-11(20-17-8)6-13(19)16-14-15-7-12(21-14)9-2-3-10(18)5-9/h4,7,9-10,18H,2-3,5-6H2,1H3,(H,15,16,19)/t9-,10+/m0/s1
InChIKeyXMCXYFHJZZZPOA-VHSXEESVSA-N
XLogP2.25
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 164880406) is N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)Nc2ncc([C@H]3CC[C@@H](O)C3)s2)on1.
What is the InChIKey of N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is XMCXYFHJZZZPOA-VHSXEESVSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-4-11(20-17-8)6-13(19)16-14-15-7-12(21-14)9-2-3-10(18)5-9/h4,7,9-10,18H,2-3,5-6H2,1H3,(H,15,16,19)/t9-,10+/m0/s1.
What are the key properties of N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 164880406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).