cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol

C12H20N2O2 — CID 125451735

IUPACcis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol
SMILESCCCc1noc(C[C@]2(O)CCC[C@H]2C)n1
InChIInChI=1S/C12H20N2O2/c1-3-5-10-13-11(16-14-10)8-12(15)7-4-6-9(12)2/h9,15H,3-8H2,1-2H3/t9-,12-/m1/s1
InChIKeyDNELVNUJDHIXFQ-BXKDBHETSA-N
MW224.30 g/mol
LogP2.12
Rot. Bonds4

About cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol

cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol (PubChem CID 125451735) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol
PubChem CID125451735
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namecis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol
SMILESCCCc1noc(C[C@]2(O)CCC[C@H]2C)n1
InChIInChI=1S/C12H20N2O2/c1-3-5-10-13-11(16-14-10)8-12(15)7-4-6-9(12)2/h9,15H,3-8H2,1-2H3/t9-,12-/m1/s1
InChIKeyDNELVNUJDHIXFQ-BXKDBHETSA-N
XLogP2.12
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol with MolForge

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Related Compounds

2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 59912914
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-[(1R,2R)-2-methylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 94811051
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
5-[(2,6-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 63910624
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 124742438
tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 125452222
5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64980670

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol (CID 125451735) is cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol is CCCc1noc(C[C@]2(O)CCC[C@H]2C)n1.
What is the InChIKey of cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol?
The InChIKey is DNELVNUJDHIXFQ-BXKDBHETSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-10-13-11(16-14-10)8-12(15)7-4-6-9(12)2/h9,15H,3-8H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol?
cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 125451735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).