cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C16H26N2O2 — CID 129445632

IUPACcis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCc1nc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)oc1C
InChIInChI=1S/C16H26N2O2/c1-11-12(2)20-16(17-11)10-18-9-5-7-14(18)13-6-3-4-8-15(13)19/h13-15,19H,3-10H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyAFQUIHWXSHJAPV-KFWWJZLASA-N
MW278.40 g/mol
LogP2.81
Rot. Bonds3

About cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 129445632) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID129445632
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Namecis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCc1nc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)oc1C
InChIInChI=1S/C16H26N2O2/c1-11-12(2)20-16(17-11)10-18-9-5-7-14(18)13-6-3-4-8-15(13)19/h13-15,19H,3-10H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyAFQUIHWXSHJAPV-KFWWJZLASA-N
XLogP2.81
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
trans-(1R,2R)-2-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129349934
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340129
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
4,5-dimethyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 129380483
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95172453

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 129445632) is cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is Cc1nc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)oc1C.
What is the InChIKey of cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is AFQUIHWXSHJAPV-KFWWJZLASA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-12(2)20-16(17-11)10-18-9-5-7-14(18)13-6-3-4-8-15(13)19/h13-15,19H,3-10H2,1-2H3/t13-,14-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129445632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).