N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide

C16H22ClN5O2 — CID 167962113

IUPACN-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](Cc2nnc(Cn3nc(C)c(Cl)c3C)o2)C1
InChIInChI=1S/C16H22ClN5O2/c1-9-16(17)10(2)22(21-9)8-15-20-19-14(24-15)7-12-4-5-13(6-12)18-11(3)23/h12-13H,4-8H2,1-3H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyGCWVXDDWIMKXDF-OLZOCXBDSA-N
MW351.84 g/mol
LogP2.43
Rot. Bonds5

About N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide

N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide (PubChem CID 167962113) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
PubChem CID167962113
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC NameN-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](Cc2nnc(Cn3nc(C)c(Cl)c3C)o2)C1
InChIInChI=1S/C16H22ClN5O2/c1-9-16(17)10(2)22(21-9)8-15-20-19-14(24-15)7-12-4-5-13(6-12)18-11(3)23/h12-13H,4-8H2,1-3H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyGCWVXDDWIMKXDF-OLZOCXBDSA-N
XLogP2.43
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The IUPAC name of N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide (CID 167962113) is N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide is CC(=O)N[C@H]1CC[C@@H](Cc2nnc(Cn3nc(C)c(Cl)c3C)o2)C1.
What is the InChIKey of N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The InChIKey is GCWVXDDWIMKXDF-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-9-16(17)10(2)22(21-9)8-15-20-19-14(24-15)7-12-4-5-13(6-12)18-11(3)23/h12-13H,4-8H2,1-3H3,(H,18,23)/t12-,13+/m1/s1.
What are the key properties of N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide has a molecular weight of 351.84 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide is sourced from PubChem (CID 167962113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).