cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol

C17H21NO2 — CID 15716068

IUPACcis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol
SMILESCc1noc(-c2ccccc2)c1C1(O)[C@H](C)CC[C@@H]1C
InChIInChI=1S/C17H21NO2/c1-11-9-10-12(2)17(11,19)15-13(3)18-20-16(15)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3/t11-,12+,17?
InChIKeyXMDQXBVKIROMLT-GTKHYJCHSA-N
MW271.36 g/mol
LogP3.90
Rot. Bonds2

About cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol

cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol (PubChem CID 15716068) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol
PubChem CID15716068
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namecis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol
SMILESCc1noc(-c2ccccc2)c1C1(O)[C@H](C)CC[C@@H]1C
InChIInChI=1S/C17H21NO2/c1-11-9-10-12(2)17(11,19)15-13(3)18-20-16(15)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3/t11-,12+,17?
InChIKeyXMDQXBVKIROMLT-GTKHYJCHSA-N
XLogP3.90
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol?
The IUPAC name of cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol (CID 15716068) is cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol.
What is the SMILES notation for cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol?
The canonical SMILES for cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol is Cc1noc(-c2ccccc2)c1C1(O)[C@H](C)CC[C@@H]1C.
What is the InChIKey of cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol?
The InChIKey is XMDQXBVKIROMLT-GTKHYJCHSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-9-10-12(2)17(11,19)15-13(3)18-20-16(15)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3/t11-,12+,17?.
What are the key properties of cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol?
cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 15716068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).